1-[1-(4-chlorophenyl)ethyl]-3-methylpiperazine

C13H19ClN2 — CID 64925953

IUPAC1-[1-(4-chlorophenyl)ethyl]-3-methylpiperazine
SMILESCC1CN(C(C)c2ccc(Cl)cc2)CCN1
InChIInChI=1S/C13H19ClN2/c1-10-9-16(8-7-15-10)11(2)12-3-5-13(14)6-4-12/h3-6,10-11,15H,7-9H2,1-2H3
InChIKeyWBYYEOBAZVWRFS-UHFFFAOYSA-N
MW238.76 g/mol
LogP2.69
Rot. Bonds2

About 1-[1-(4-chlorophenyl)ethyl]-3-methylpiperazine

1-[1-(4-chlorophenyl)ethyl]-3-methylpiperazine (PubChem CID 64925953) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)ethyl]-3-methylpiperazine.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)ethyl]-3-methylpiperazine
PubChem CID64925953
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name1-[1-(4-chlorophenyl)ethyl]-3-methylpiperazine
SMILESCC1CN(C(C)c2ccc(Cl)cc2)CCN1
InChIInChI=1S/C13H19ClN2/c1-10-9-16(8-7-15-10)11(2)12-3-5-13(14)6-4-12/h3-6,10-11,15H,7-9H2,1-2H3
InChIKeyWBYYEOBAZVWRFS-UHFFFAOYSA-N
XLogP2.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)ethyl]-3-methylpiperazine?
The IUPAC name of 1-[1-(4-chlorophenyl)ethyl]-3-methylpiperazine (CID 64925953) is 1-[1-(4-chlorophenyl)ethyl]-3-methylpiperazine.
What is the SMILES notation for 1-[1-(4-chlorophenyl)ethyl]-3-methylpiperazine?
The canonical SMILES for 1-[1-(4-chlorophenyl)ethyl]-3-methylpiperazine is CC1CN(C(C)c2ccc(Cl)cc2)CCN1.
What is the InChIKey of 1-[1-(4-chlorophenyl)ethyl]-3-methylpiperazine?
The InChIKey is WBYYEOBAZVWRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-10-9-16(8-7-15-10)11(2)12-3-5-13(14)6-4-12/h3-6,10-11,15H,7-9H2,1-2H3.
What are the key properties of 1-[1-(4-chlorophenyl)ethyl]-3-methylpiperazine?
1-[1-(4-chlorophenyl)ethyl]-3-methylpiperazine has a molecular weight of 238.76 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)ethyl]-3-methylpiperazine is sourced from PubChem (CID 64925953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).