4-benzyl-3-phenylpiperazin-1-amine

C17H21N3 — CID 3030044

IUPAC4-benzyl-3-phenylpiperazin-1-amine
SMILESNN1CCN(Cc2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C17H21N3/c18-20-12-11-19(13-15-7-3-1-4-8-15)17(14-20)16-9-5-2-6-10-16/h1-10,17H,11-14,18H2
InChIKeyQLZXYPFZHQFGHY-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.42
Rot. Bonds3

About 4-benzyl-3-phenylpiperazin-1-amine

4-benzyl-3-phenylpiperazin-1-amine (PubChem CID 3030044) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 4-benzyl-3-phenylpiperazin-1-amine.

Molecular Properties

Compound Name4-benzyl-3-phenylpiperazin-1-amine
PubChem CID3030044
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name4-benzyl-3-phenylpiperazin-1-amine
SMILESNN1CCN(Cc2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C17H21N3/c18-20-12-11-19(13-15-7-3-1-4-8-15)17(14-20)16-9-5-2-6-10-16/h1-10,17H,11-14,18H2
InChIKeyQLZXYPFZHQFGHY-UHFFFAOYSA-N
XLogP2.42
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-4-iodo-2-phenylpiperazine
CID 163774548
1-benzyl-3-[(4-chlorophenyl)methyl]-2-phenylimidazolidine
CID 101217631
4-(1,4-dibenzylpiperazin-2-yl)benzonitrile
CID 77150858
[2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]phenyl]methanamine
CID 18070759
(2R)-4-benzyl-2-phenyl-1-prop-2-enylpiperazine;dihydrochloride
CID 68577108
4-benzyl-2-phenyl-1-prop-2-enylpiperazine;dihydrochloride
CID 68577111
1-[(3R)-3-phenyl-4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
CID 125008142
1-benzyl-2-(4-chlorophenyl)piperazine
CID 22074529
2-[4-(2-aminoethyl)-3-phenylpiperazin-1-yl]ethanamine;tetrahydrochloride
CID 68738607
3-(2-phenylaziridin-1-yl)propan-1-amine
CID 158362173
(2S,5R)-1-benzyl-5-methyl-2-phenylpiperazine
CID 86680328
[[4-[(3R)-4-benzyl-3-phenylpiperazin-1-yl]-2,5-difluorophenyl]methylideneamino]thiourea
CID 91423213

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-phenylpiperazin-1-amine?
The IUPAC name of 4-benzyl-3-phenylpiperazin-1-amine (CID 3030044) is 4-benzyl-3-phenylpiperazin-1-amine.
What is the SMILES notation for 4-benzyl-3-phenylpiperazin-1-amine?
The canonical SMILES for 4-benzyl-3-phenylpiperazin-1-amine is NN1CCN(Cc2ccccc2)C(c2ccccc2)C1.
What is the InChIKey of 4-benzyl-3-phenylpiperazin-1-amine?
The InChIKey is QLZXYPFZHQFGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c18-20-12-11-19(13-15-7-3-1-4-8-15)17(14-20)16-9-5-2-6-10-16/h1-10,17H,11-14,18H2.
What are the key properties of 4-benzyl-3-phenylpiperazin-1-amine?
4-benzyl-3-phenylpiperazin-1-amine has a molecular weight of 267.38 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-phenylpiperazin-1-amine is sourced from PubChem (CID 3030044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).