1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-methylpiperazine

C18H21ClN2 — CID 688438

IUPAC1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-methylpiperazine
SMILESCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H21ClN2/c1-20-11-13-21(14-12-20)18(15-5-3-2-4-6-15)16-7-9-17(19)10-8-16/h2-10,18H,11-14H2,1H3/t18-/m1/s1
InChIKeyWFNAKBGANONZEQ-GOSISDBHSA-N
MW300.83 g/mol
LogP3.68
Rot. Bonds3

About 1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-methylpiperazine

1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-methylpiperazine (PubChem CID 688438) has the molecular formula C18H21ClN2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-methylpiperazine
PubChem CID688438
Molecular FormulaC18H21ClN2
Molecular Weight300.83 g/mol
Exact Mass300.14
IUPAC Name1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-methylpiperazine
SMILESCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H21ClN2/c1-20-11-13-21(14-12-20)18(15-5-3-2-4-6-15)16-7-9-17(19)10-8-16/h2-10,18H,11-14H2,1H3/t18-/m1/s1
InChIKeyWFNAKBGANONZEQ-GOSISDBHSA-N
XLogP3.68
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-methylpiperazine?
The IUPAC name of 1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-methylpiperazine (CID 688438) is 1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-methylpiperazine?
The canonical SMILES for 1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-methylpiperazine is CN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-methylpiperazine?
The InChIKey is WFNAKBGANONZEQ-GOSISDBHSA-N. The full InChI is InChI=1S/C18H21ClN2/c1-20-11-13-21(14-12-20)18(15-5-3-2-4-6-15)16-7-9-17(19)10-8-16/h2-10,18H,11-14H2,1H3/t18-/m1/s1.
What are the key properties of 1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-methylpiperazine?
1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-methylpiperazine has a molecular weight of 300.83 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-methylpiperazine is sourced from PubChem (CID 688438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).