Products for Research Use Only
RegisterLogin

TP-064

CAT: 0127-BUP03832-05Size: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0127-BUP03832-05Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2080306-20-1
Synonyms
TP 064
Purity
=95%
Smiles
CNCCN1CCC(CC1)c1cc(CN(C)C(=O)c2cccc(Oc3ccccc3)c2)ccn1

Chemical Information

N-Methyl-N-((2-(1-(2-(methylamino)ethyl)piperidin-4-yl)pyridin-4-yl)methyl)-3-phenoxybenzamide
CAS Number2080306-20-1
PubChem CID122707126
IUPAC NameN-methyl-N-[[2-[1-[2-(methylamino)ethyl]piperidin-4-yl]-4-pyridinyl]methyl]-3-phenoxybenzamide
Molecular FormulaC28H34N4O2
Molecular Weight458.6
XLogP3.5
Topological Polar Surface Area57.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count34
Formal Charge0
Complexity603
SMILES
CNCCN1CCC(CC1)C2=NC=CC(=C2)CN(C)C(=O)C3=CC(=CC=C3)OC4=CC=CC=C4
InChI
InChI=1S/C28H34N4O2/c1-29-15-18-32-16-12-23(13-17-32)27-19-22(11-14-30-27)21-31(2)28(33)24-7-6-10-26(20-24)34-25-8-4-3-5-9-25/h3-11,14,19-20,23,29H,12-13,15-18,21H2,1-2H3
InChIKey
VUIITYLFSAXKIQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Methyl-N-((2-(1-(2-(methylamino)ethyl)piperidin-4-yl)pyridin-4-yl)methyl)-3-phenoxybenzamide
CAS: 2080306-20-1
CID: 122707126
Formula: C28H34N4O2
MW: 458.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight458.6
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass458.26817634
Monoisotopic Mass458.26817634
Topological Polar Surface Area57.7 Ų
Heavy Atom Count34
Formal Charge0
Complexity603
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
BUP08779-01GNE-064
BUP23591-01TP-051
BUP08064-01TP-353
BUP10971-01TP-4748
BUP13154-01TP-3654
BUP08911-01TP-10
BITH3057-01TP-5
OR1102085-01TP-021
BUP02260-01TP-16
BUP07903-01TP-2857

Alternative Products

CatalogName
BA4814-5TP-064
FID30620-01TP 064
A24312-10TP-064 10mg
A24312-1TP-064 1mg
A24312-5TP-064 5mg
A24312-50TP-064 50mg
6008/50TP 064 50 mg
6008/10TP 064 10 mg
BA4693-50GNE-064
MBS5755370PH-064

Popular Products