(3S)-1-benzyl-3-phenylpiperazine

C17H20N2 — CID 51910764

IUPAC(3S)-1-benzyl-3-phenylpiperazine
SMILESc1ccc(CN2CCN[C@@H](c3ccccc3)C2)cc1
InChIInChI=1S/C17H20N2/c1-3-7-15(8-4-1)13-19-12-11-18-17(14-19)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2/t17-/m1/s1
InChIKeyKMOQMXILLUBOJL-QGZVFWFLSA-N
MW252.36 g/mol
LogP2.83
Rot. Bonds3

About (3S)-1-benzyl-3-phenylpiperazine

(3S)-1-benzyl-3-phenylpiperazine (PubChem CID 51910764) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is (3S)-1-benzyl-3-phenylpiperazine.

Molecular Properties

Compound Name(3S)-1-benzyl-3-phenylpiperazine
PubChem CID51910764
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name(3S)-1-benzyl-3-phenylpiperazine
SMILESc1ccc(CN2CCN[C@@H](c3ccccc3)C2)cc1
InChIInChI=1S/C17H20N2/c1-3-7-15(8-4-1)13-19-12-11-18-17(14-19)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2/t17-/m1/s1
InChIKeyKMOQMXILLUBOJL-QGZVFWFLSA-N
XLogP2.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-benzylpiperazin-2-yl)benzaldehyde
CID 166460961
3-phenyl-1-(pyridin-4-ylmethyl)-1,4-diazepane
CID 64857270
1-[(5-bromothiophen-3-yl)methyl]-3-phenylpiperazine
CID 166432752
2-(4-benzylpiperazin-2-yl)aniline
CID 66697568
1-chloro-3-phenylpiperazine
CID 18428014
1-[(E)-3-chloroprop-2-enyl]-3-phenylpiperazine
CID 107901367
1-benzyl-3-methylpiperazine;ethane
CID 166543639
(3S)-1-benzyl-3-methylpiperazine;hydrochloride
CID 52982949
1-bromo-4-(chloromethyl)benzene;1-[(4-bromophenyl)methyl]-3-phenylpiperazine;2-phenylpiperazine
CID 158567577
methyl 3-(4-benzylpiperazin-2-yl)benzoate
CID 162408491
1-[(3-chloro-2-fluorophenyl)methyl]-3-phenylpiperazine
CID 102862405
1-(2,2-difluoroethyl)-3-phenylpiperazine
CID 64834472

Frequently Asked Questions

What is the IUPAC name of (3S)-1-benzyl-3-phenylpiperazine?
The IUPAC name of (3S)-1-benzyl-3-phenylpiperazine (CID 51910764) is (3S)-1-benzyl-3-phenylpiperazine.
What is the SMILES notation for (3S)-1-benzyl-3-phenylpiperazine?
The canonical SMILES for (3S)-1-benzyl-3-phenylpiperazine is c1ccc(CN2CCN[C@@H](c3ccccc3)C2)cc1.
What is the InChIKey of (3S)-1-benzyl-3-phenylpiperazine?
The InChIKey is KMOQMXILLUBOJL-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H20N2/c1-3-7-15(8-4-1)13-19-12-11-18-17(14-19)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2/t17-/m1/s1.
What are the key properties of (3S)-1-benzyl-3-phenylpiperazine?
(3S)-1-benzyl-3-phenylpiperazine has a molecular weight of 252.36 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-benzyl-3-phenylpiperazine is sourced from PubChem (CID 51910764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).