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1-Methyl-3-phenylpiperazine

CAT: 0572-TRC-M325995-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-M325995-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
5271-27-2
Synonyms
1-Methyl-3-phenylpiperazine
Hazard Statement
Harmful if swallowed
Smiles
CN1CCNC(C1)c2ccccc2
Molecular Formula
C11 H16 N2
Molecular Weight
176.26
InChI
InChI=1S/C11H16N2/c1-13-8-7-12-11(9-13)10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3
Additionnal Information
IUPAC name: 1-methyl-3-phenylpiperazine
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

1-Methyl-3-phenylpiperazine
CAS Number5271-27-2
PubChem CID2760009
IUPAC Name1-methyl-3-phenylpiperazine
Molecular FormulaC11H16N2
Molecular Weight176.26
XLogP1.1
Topological Polar Surface Area15.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity152
SMILES
CN1CCNC(C1)C2=CC=CC=C2
InChI
InChI=1S/C11H16N2/c1-13-8-7-12-11(9-13)10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3
InChIKey
IRMBVBDXXYXPEW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Methyl-3-phenylpiperazine
CAS: 5271-27-2
CID: 2760009
Formula: C11H16N2
MW: 176.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight176.26
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass176.131348519
Monoisotopic Mass176.131348519
Topological Polar Surface Area15.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity152
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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