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

C18H21ClN2 — CID 2710

IUPAC1-[(4-chlorophenyl)-phenylmethyl]-4-methylpiperazine
SMILESCN1CCN(C(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
InChIKeyWFNAKBGANONZEQ-UHFFFAOYSA-N
MW300.83 g/mol
LogP3.68
Rot. Bonds3

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

1-[(4-chlorophenyl)-phenylmethyl]-4-methylpiperazine (PubChem CID 2710) has the molecular formula C18H21ClN2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)-phenylmethyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)-phenylmethyl]-4-methylpiperazine
PubChem CID2710
Molecular FormulaC18H21ClN2
Molecular Weight300.83 g/mol
Exact Mass300.14
IUPAC Name1-[(4-chlorophenyl)-phenylmethyl]-4-methylpiperazine
SMILESCN1CCN(C(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
InChIKeyWFNAKBGANONZEQ-UHFFFAOYSA-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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Related Compounds

Cyclizine
CID 6726
Buclizine
CID 6729
Meclizine
CID 4034
Homochlorcyclizine
CID 3627
Norchlorcyclizine
CID 9340
Buclizine Hydrochloride
CID 65463
Chlorcyclizine Hydrochloride
CID 62413
Meclozine Dihydrochloride
CID 64713
Zicronapine
CID 11465618
Cyclizine Hydrochloride
CID 6420019
Meclizine Monohydrochloride
CID 92303
Meclizine Hydrochloride
CID 173612

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)-phenylmethyl]-4-methylpiperazine?
The IUPAC name of 1-[(4-chlorophenyl)-phenylmethyl]-4-methylpiperazine (CID 2710) is 1-[(4-chlorophenyl)-phenylmethyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(4-chlorophenyl)-phenylmethyl]-4-methylpiperazine?
The canonical SMILES for 1-[(4-chlorophenyl)-phenylmethyl]-4-methylpiperazine is CN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[(4-chlorophenyl)-phenylmethyl]-4-methylpiperazine?
The InChIKey is WFNAKBGANONZEQ-UHFFFAOYSA-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.
What are the key properties of 1-[(4-chlorophenyl)-phenylmethyl]-4-methylpiperazine?
1-[(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-[(4-chlorophenyl)-phenylmethyl]-4-methylpiperazine is sourced from PubChem (CID 2710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).