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UK 78282 Hydrochloride

CAT: 0572-TRC-U700625-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-U700625-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
136647-02-4
Synonyms
4-[(Diphenylmethoxy)methyl]-1-[3-(4-methoxyphenyl)propyl]-piperidine Hydrochloride; 4-[(Diphenylmethoxy)methyl]-1-[3-(4-methoxyphenyl)propyl]-piperidine Hydrochloride (9CI); 4-[(Diphenylmethoxy)methyl]-1-[3-(4-methoxyphenyl)propyl]-piperidine Hydrochloride (1:1)
Hazard Statement
No Data Available
Smiles
COC1=CC=C(CCCN2CCC(CC2)COC(C3=CC=CC=C3)C4=CC=CC=C4)C=C1.Cl
Molecular Formula
C29H35NO2 • HCl
Molecular Weight
466.05
InChI
InChI=1S/C29H35NO2.ClH/c1-31-28-16-14-24(15-17-28)9-8-20-30-21-18-25(19-22-30)23-32-29(26-10-4-2-5-11-26)27-12-6-3-7-13-27;/h2-7,10-17,25,29H,8-9,18-23H2,1H3;1H
Additionnal Information
IUPAC name: 4-((benzhydryloxy)methyl)-1-(3-(4-methoxyphenyl)propyl)piperidine hydrochloride
Shipping Conditions
Room Temperature

Chemical Information

4-((Benzhydryloxy)methyl)-1-(3-(4-methoxyphenyl)propyl)piperidine hydrochloride
CAS Number136647-02-4
PubChem CID53393337
IUPAC Name4-(benzhydryloxymethyl)-1-[3-(4-methoxyphenyl)propyl]piperidine;hydrochloride
Molecular FormulaC29H36ClNO2
Molecular Weight466.1
Topological Polar Surface Area21.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count10
Heavy Atom Count33
Formal Charge0
Complexity465
SMILES
COC1=CC=C(C=C1)CCCN2CCC(CC2)COC(C3=CC=CC=C3)C4=CC=CC=C4.Cl
InChI
InChI=1S/C29H35NO2.ClH/c1-31-28-16-14-24(15-17-28)9-8-20-30-21-18-25(19-22-30)23-32-29(26-10-4-2-5-11-26)27-12-6-3-7-13-27;/h2-7,10-17,25,29H,8-9,18-23H2,1H3;1H
InChIKey
ZZSQARULZYQMIG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-((Benzhydryloxy)methyl)-1-(3-(4-methoxyphenyl)propyl)piperidine hydrochloride
CAS: 136647-02-4
CID: 53393337
Formula: C29H36ClNO2
MW: 466.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight466.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count10
Exact Mass465.2434571
Monoisotopic Mass465.2434571
Topological Polar Surface Area21.7 Ų
Heavy Atom Count33
Formal Charge0
Complexity465
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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