4-(4-chlorophenyl)-1-pentylpiperidine

C16H24ClN — CID 66635369

IUPAC4-(4-chlorophenyl)-1-pentylpiperidine
SMILESCCCCCN1CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H24ClN/c1-2-3-4-11-18-12-9-15(10-13-18)14-5-7-16(17)8-6-14/h5-8,15H,2-4,9-13H2,1H3
InChIKeyBCDYWEDPGBSEKV-UHFFFAOYSA-N
MW265.83 g/mol
LogP4.71
Rot. Bonds5

About 4-(4-chlorophenyl)-1-pentylpiperidine

4-(4-chlorophenyl)-1-pentylpiperidine (PubChem CID 66635369) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-pentylpiperidine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-pentylpiperidine
PubChem CID66635369
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC Name4-(4-chlorophenyl)-1-pentylpiperidine
SMILESCCCCCN1CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H24ClN/c1-2-3-4-11-18-12-9-15(10-13-18)14-5-7-16(17)8-6-14/h5-8,15H,2-4,9-13H2,1H3
InChIKeyBCDYWEDPGBSEKV-UHFFFAOYSA-N
XLogP4.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.83
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(4-chlorophenyl)-1-pentylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(4-chlorophenyl)piperidin-1-yl]propan-1-amine
CID 82131800
4-(1-butylpiperidin-4-yl)phenol
CID 10663044
4-(4-butoxyphenyl)-1-propylpiperidine
CID 57387305
1-[3-(4-chlorophenoxy)propyl]-4-phenylpiperidine;hydrochloride
CID 139776325
CID 21470316
CID 21470316
2-[4-(4-ethylphenyl)piperidin-1-yl]ethanamine
CID 82128932
3-[4-(4-methoxyphenyl)piperidin-1-yl]propan-1-amine
CID 94689546
1-[4-(4-chlorophenyl)cyclohexyl]pentan-1-one
CID 3104712
1-chloro-4-(4-chlorophenyl)-1-heptylsilinane
CID 139789205
1-(4-butylcyclohexyl)-4-chlorobenzene;1-chloro-4-(4-heptylcyclohexyl)benzene;1-chloro-4-(4-pentylcyclohexyl)benzene;1-chloro-4-(4-propylcyclohexyl)benzene
CID 160958151
1-(3-acetyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-4-[4-(4-chlorophenyl)piperidin-1-yl]butan-1-one
CID 21108056
3-[3-[4-(4-chlorophenyl)piperidin-1-yl]propyl]-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene 2,2-dioxide
CID 19817081

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-pentylpiperidine?
The IUPAC name of 4-(4-chlorophenyl)-1-pentylpiperidine (CID 66635369) is 4-(4-chlorophenyl)-1-pentylpiperidine.
What is the SMILES notation for 4-(4-chlorophenyl)-1-pentylpiperidine?
The canonical SMILES for 4-(4-chlorophenyl)-1-pentylpiperidine is CCCCCN1CCC(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-1-pentylpiperidine?
The InChIKey is BCDYWEDPGBSEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN/c1-2-3-4-11-18-12-9-15(10-13-18)14-5-7-16(17)8-6-14/h5-8,15H,2-4,9-13H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-1-pentylpiperidine?
4-(4-chlorophenyl)-1-pentylpiperidine has a molecular weight of 265.83 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-pentylpiperidine is sourced from PubChem (CID 66635369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).