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

C14H21ClN2 — CID 65418511

IUPAC1-[1-(4-chlorophenyl)propyl]-3-methylpiperazine
SMILESCCC(c1ccc(Cl)cc1)N1CCNC(C)C1
InChIInChI=1S/C14H21ClN2/c1-3-14(12-4-6-13(15)7-5-12)17-9-8-16-11(2)10-17/h4-7,11,14,16H,3,8-10H2,1-2H3
InChIKeyRZUGEDGFHZYOGY-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.08
Rot. Bonds3

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

1-[1-(4-chlorophenyl)propyl]-3-methylpiperazine (PubChem CID 65418511) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)propyl]-3-methylpiperazine.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)propyl]-3-methylpiperazine
PubChem CID65418511
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name1-[1-(4-chlorophenyl)propyl]-3-methylpiperazine
SMILESCCC(c1ccc(Cl)cc1)N1CCNC(C)C1
InChIInChI=1S/C14H21ClN2/c1-3-14(12-4-6-13(15)7-5-12)17-9-8-16-11(2)10-17/h4-7,11,14,16H,3,8-10H2,1-2H3
InChIKeyRZUGEDGFHZYOGY-UHFFFAOYSA-N
XLogP3.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(4-chlorophenyl)-3-methylbutyl]-3-methylpiperazine;ethane
CID 176717104
3-methyl-1-[1-[4-(trifluoromethyl)phenyl]propyl]piperazine
CID 176717060
1-[1-(4-chlorophenyl)ethyl]-3-methylpiperazine
CID 64925953
1-[bis(4-chlorophenyl)methyl]-3-methylpiperazine;methanol
CID 170615369
1-[(1R)-1-(4-chlorophenyl)propyl]-4-methylpiperidine
CID 92967683
1-[1-(4-chlorophenyl)propyl]-4-methylpiperidine;hydrochloride
CID 3056499
(3aR,6aS)-5-[1-(4-chlorophenyl)propyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 114042222
2-[1-(3-methylpiperazin-1-yl)propyl]phenol
CID 65417239
2-(4-tert-butylphenyl)-2-(3-methylpiperazin-1-yl)ethanol
CID 83978628
2-(3,4-dichlorophenyl)-N,N-diethyl-2-(3-methylpiperazin-1-yl)ethanamine
CID 83978693
4-[2-(dimethylamino)-1-(3-methylpiperazin-1-yl)ethyl]-N,N-dimethylaniline
CID 83977901
1-[1-(4-chlorophenyl)propyl]piperidin-4-amine;hydrochloride
CID 119908754

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)propyl]-3-methylpiperazine?
The IUPAC name of 1-[1-(4-chlorophenyl)propyl]-3-methylpiperazine (CID 65418511) is 1-[1-(4-chlorophenyl)propyl]-3-methylpiperazine.
What is the SMILES notation for 1-[1-(4-chlorophenyl)propyl]-3-methylpiperazine?
The canonical SMILES for 1-[1-(4-chlorophenyl)propyl]-3-methylpiperazine is CCC(c1ccc(Cl)cc1)N1CCNC(C)C1.
What is the InChIKey of 1-[1-(4-chlorophenyl)propyl]-3-methylpiperazine?
The InChIKey is RZUGEDGFHZYOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-3-14(12-4-6-13(15)7-5-12)17-9-8-16-11(2)10-17/h4-7,11,14,16H,3,8-10H2,1-2H3.
What are the key properties of 1-[1-(4-chlorophenyl)propyl]-3-methylpiperazine?
1-[1-(4-chlorophenyl)propyl]-3-methylpiperazine has a molecular weight of 252.79 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)propyl]-3-methylpiperazine is sourced from PubChem (CID 65418511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).