1-[1-(2-chlorophenyl)propyl]-4-methylpiperazine

C14H21ClN2 — CID 67966584

IUPAC1-[1-(2-chlorophenyl)propyl]-4-methylpiperazine
SMILESCCC(c1ccccc1Cl)N1CCN(C)CC1
InChIInChI=1S/C14H21ClN2/c1-3-14(12-6-4-5-7-13(12)15)17-10-8-16(2)9-11-17/h4-7,14H,3,8-11H2,1-2H3
InChIKeyMMHJOZVPOROPEB-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.04
Rot. Bonds3

About 1-[1-(2-chlorophenyl)propyl]-4-methylpiperazine

1-[1-(2-chlorophenyl)propyl]-4-methylpiperazine (PubChem CID 67966584) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 1-[1-(2-chlorophenyl)propyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[1-(2-chlorophenyl)propyl]-4-methylpiperazine
PubChem CID67966584
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name1-[1-(2-chlorophenyl)propyl]-4-methylpiperazine
SMILESCCC(c1ccccc1Cl)N1CCN(C)CC1
InChIInChI=1S/C14H21ClN2/c1-3-14(12-6-4-5-7-13(12)15)17-10-8-16(2)9-11-17/h4-7,14H,3,8-11H2,1-2H3
InChIKeyMMHJOZVPOROPEB-UHFFFAOYSA-N
XLogP3.04
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-(2-chlorophenyl)propyl]piperazine
CID 92754288
methyl N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]carbamate
CID 112504723
ethyl 2-[[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]amino]-2-oxoacetate
CID 112504722
N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2,2-dimethylpropanamide
CID 112504694
2-(4-tert-butylpiperazin-1-yl)-2-(2-chlorophenyl)ethanamine
CID 61429571
2-(2,3-dichlorophenyl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine
CID 22692567
2-(2-chlorophenyl)-2-(1-methylpiperidin-4-yl)ethanol
CID 115008578
3-chloro-N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 112504717
1-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(2-methoxyethyl)urea
CID 110303042
N-[(2R)-2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-phenoxybenzenesulfonamide
CID 45275234
2-chloro-6-[(1S)-1-piperazin-1-ylpropyl]phenol
CID 171277444
2-(2-ethylphenyl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine
CID 62392810

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chlorophenyl)propyl]-4-methylpiperazine?
The IUPAC name of 1-[1-(2-chlorophenyl)propyl]-4-methylpiperazine (CID 67966584) is 1-[1-(2-chlorophenyl)propyl]-4-methylpiperazine.
What is the SMILES notation for 1-[1-(2-chlorophenyl)propyl]-4-methylpiperazine?
The canonical SMILES for 1-[1-(2-chlorophenyl)propyl]-4-methylpiperazine is CCC(c1ccccc1Cl)N1CCN(C)CC1.
What is the InChIKey of 1-[1-(2-chlorophenyl)propyl]-4-methylpiperazine?
The InChIKey is MMHJOZVPOROPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-3-14(12-6-4-5-7-13(12)15)17-10-8-16(2)9-11-17/h4-7,14H,3,8-11H2,1-2H3.
What are the key properties of 1-[1-(2-chlorophenyl)propyl]-4-methylpiperazine?
1-[1-(2-chlorophenyl)propyl]-4-methylpiperazine has a molecular weight of 252.79 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chlorophenyl)propyl]-4-methylpiperazine is sourced from PubChem (CID 67966584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).