1-(4-chlorophenyl)-4-(4-methylpentyl)piperazine

C16H25ClN2 — CID 59966261

IUPAC1-(4-chlorophenyl)-4-(4-methylpentyl)piperazine
SMILESCC(C)CCCN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H25ClN2/c1-14(2)4-3-9-18-10-12-19(13-11-18)16-7-5-15(17)6-8-16/h5-8,14H,3-4,9-13H2,1-2H3
InChIKeyYVSAYCQDARVHAP-UHFFFAOYSA-N
MW280.84 g/mol
LogP3.90
Rot. Bonds5

About 1-(4-chlorophenyl)-4-(4-methylpentyl)piperazine

1-(4-chlorophenyl)-4-(4-methylpentyl)piperazine (PubChem CID 59966261) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-(4-methylpentyl)piperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-(4-methylpentyl)piperazine
PubChem CID59966261
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name1-(4-chlorophenyl)-4-(4-methylpentyl)piperazine
SMILESCC(C)CCCN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H25ClN2/c1-14(2)4-3-9-18-10-12-19(13-11-18)16-7-5-15(17)6-8-16/h5-8,14H,3-4,9-13H2,1-2H3
InChIKeyYVSAYCQDARVHAP-UHFFFAOYSA-N
XLogP3.90
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylbutan-1-amine
CID 81079308
4-[4-(4-chlorophenyl)piperazin-1-yl]-N-propan-2-ylbutan-1-amine
CID 60849420
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-methylethanamine
CID 43135360
1-(2-chloroethyl)-4-(4-chlorophenyl)piperazine;dihydrochloride
CID 11461707
1-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 21388286
4-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylbutan-2-ol
CID 79326592
1-[4-(4-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one
CID 90253989
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]pentan-3-amine
CID 62573775
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1-cyclopropylethanamine
CID 62574147
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine
CID 61386697
3-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylpropanenitrile
CID 43367389
4-[4-(4-chlorophenyl)piperazin-1-yl]-N,3,3-trimethylbutan-2-amine
CID 66453832

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-(4-methylpentyl)piperazine?
The IUPAC name of 1-(4-chlorophenyl)-4-(4-methylpentyl)piperazine (CID 59966261) is 1-(4-chlorophenyl)-4-(4-methylpentyl)piperazine.
What is the SMILES notation for 1-(4-chlorophenyl)-4-(4-methylpentyl)piperazine?
The canonical SMILES for 1-(4-chlorophenyl)-4-(4-methylpentyl)piperazine is CC(C)CCCN1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-4-(4-methylpentyl)piperazine?
The InChIKey is YVSAYCQDARVHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-14(2)4-3-9-18-10-12-19(13-11-18)16-7-5-15(17)6-8-16/h5-8,14H,3-4,9-13H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-4-(4-methylpentyl)piperazine?
1-(4-chlorophenyl)-4-(4-methylpentyl)piperazine has a molecular weight of 280.84 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-(4-methylpentyl)piperazine is sourced from PubChem (CID 59966261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).