1-[(S)-(3-methylphenyl)-phenylmethyl]piperazine

C18H22N2 — CID 92754605

IUPAC1-[(S)-(3-methylphenyl)-phenylmethyl]piperazine
SMILESCc1cccc([C@H](c2ccccc2)N2CCNCC2)c1
InChIInChI=1S/C18H22N2/c1-15-6-5-9-17(14-15)18(16-7-3-2-4-8-16)20-12-10-19-11-13-20/h2-9,14,18-19H,10-13H2,1H3/t18-/m0/s1
InChIKeyVUACHSWIXIPAEQ-SFHVURJKSA-N
MW266.39 g/mol
LogP2.99
Rot. Bonds3

About 1-[(S)-(3-methylphenyl)-phenylmethyl]piperazine

1-[(S)-(3-methylphenyl)-phenylmethyl]piperazine (PubChem CID 92754605) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-[(S)-(3-methylphenyl)-phenylmethyl]piperazine.

Molecular Properties

Compound Name1-[(S)-(3-methylphenyl)-phenylmethyl]piperazine
PubChem CID92754605
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name1-[(S)-(3-methylphenyl)-phenylmethyl]piperazine
SMILESCc1cccc([C@H](c2ccccc2)N2CCNCC2)c1
InChIInChI=1S/C18H22N2/c1-15-6-5-9-17(14-15)18(16-7-3-2-4-8-16)20-12-10-19-11-13-20/h2-9,14,18-19H,10-13H2,1H3/t18-/m0/s1
InChIKeyVUACHSWIXIPAEQ-SFHVURJKSA-N
XLogP2.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-methylphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine
CID 3765974
1-[(R)-(3-methylphenyl)-thiophen-2-ylmethyl]piperazine
CID 92754603
1-[(1S)-1-(3-methylphenyl)ethyl]piperazine
CID 92754613
1-[(4-cyclohexylphenyl)-(3-methylphenyl)methyl]piperazine
CID 4738702
4-[(S)-(3-methylphenyl)-phenylmethyl]morpholine
CID 71608225
1-[(2-chlorophenyl)-(3-methylphenyl)methyl]-1,4-diazepane
CID 3259309
1-[(3-methoxyphenyl)-(3-methylphenyl)methyl]-1,4-diazepane
CID 3847657
1,1-dimethyl-4-[(3-methylphenyl)-phenylmethyl]piperazin-1-ium
CID 3030341
1-[(3-fluorophenyl)-(4-methylphenyl)methyl]piperazine
CID 3971092
1-[(3,4-dimethoxyphenyl)-(3-methylphenyl)methyl]-1,4-diazepane
CID 3719968
1-[phenyl(pyridin-4-yl)methyl]piperazine
CID 5035634
1-[(S)-(4-methoxyphenyl)-phenylmethyl]piperazine
CID 7047760

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(3-methylphenyl)-phenylmethyl]piperazine?
The IUPAC name of 1-[(S)-(3-methylphenyl)-phenylmethyl]piperazine (CID 92754605) is 1-[(S)-(3-methylphenyl)-phenylmethyl]piperazine.
What is the SMILES notation for 1-[(S)-(3-methylphenyl)-phenylmethyl]piperazine?
The canonical SMILES for 1-[(S)-(3-methylphenyl)-phenylmethyl]piperazine is Cc1cccc([C@H](c2ccccc2)N2CCNCC2)c1.
What is the InChIKey of 1-[(S)-(3-methylphenyl)-phenylmethyl]piperazine?
The InChIKey is VUACHSWIXIPAEQ-SFHVURJKSA-N. The full InChI is InChI=1S/C18H22N2/c1-15-6-5-9-17(14-15)18(16-7-3-2-4-8-16)20-12-10-19-11-13-20/h2-9,14,18-19H,10-13H2,1H3/t18-/m0/s1.
What are the key properties of 1-[(S)-(3-methylphenyl)-phenylmethyl]piperazine?
1-[(S)-(3-methylphenyl)-phenylmethyl]piperazine has a molecular weight of 266.39 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(3-methylphenyl)-phenylmethyl]piperazine is sourced from PubChem (CID 92754605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).