1-(3-chloropropyl)-4-phenyl-4-propoxypiperidine

C17H26ClNO — CID 21395249

IUPAC1-(3-chloropropyl)-4-phenyl-4-propoxypiperidine
SMILESCCCOC1(c2ccccc2)CCN(CCCCl)CC1
InChIInChI=1S/C17H26ClNO/c1-2-15-20-17(16-7-4-3-5-8-16)9-13-19(14-10-17)12-6-11-18/h3-5,7-8H,2,6,9-15H2,1H3
InChIKeyJPICBPJRTPGTRJ-UHFFFAOYSA-N
MW295.85 g/mol
LogP4.03
Rot. Bonds7

About 1-(3-chloropropyl)-4-phenyl-4-propoxypiperidine

1-(3-chloropropyl)-4-phenyl-4-propoxypiperidine (PubChem CID 21395249) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is 1-(3-chloropropyl)-4-phenyl-4-propoxypiperidine.

Molecular Properties

Compound Name1-(3-chloropropyl)-4-phenyl-4-propoxypiperidine
PubChem CID21395249
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC Name1-(3-chloropropyl)-4-phenyl-4-propoxypiperidine
SMILESCCCOC1(c2ccccc2)CCN(CCCCl)CC1
InChIInChI=1S/C17H26ClNO/c1-2-15-20-17(16-7-4-3-5-8-16)9-13-19(14-10-17)12-6-11-18/h3-5,7-8H,2,6,9-15H2,1H3
InChIKeyJPICBPJRTPGTRJ-UHFFFAOYSA-N
XLogP4.03
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-chloropropyl)-4-phenyl-4-propoxypiperidine 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

Diphenylpyraline
CID 3103
Alphaprodine
CID 120738
Diphenylpyraline Hydrochloride
CID 66063
4-Piperidinol, 1,3-dimethyl-4-phenyl-, 4-propanoate, hydrochloride (1:1), (3R,4S)-rel-
CID 120737
4-propionyloxy-4-phenyl-N-methylpiperidine
CID 61583
Blarcamesine
CID 9882189
Betaprodine
CID 5284516
Allylprodine
CID 32938
Blarcamesine Hydrochloride
CID 46932299
Alphameprodine
CID 61119
Betameprodine
CID 12218309
4-Piperidinol, 1-methyl-4-phenyl-, 4-propanoate, hydrochloride (1:1)
CID 3030770

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloropropyl)-4-phenyl-4-propoxypiperidine?
The IUPAC name of 1-(3-chloropropyl)-4-phenyl-4-propoxypiperidine (CID 21395249) is 1-(3-chloropropyl)-4-phenyl-4-propoxypiperidine.
What is the SMILES notation for 1-(3-chloropropyl)-4-phenyl-4-propoxypiperidine?
The canonical SMILES for 1-(3-chloropropyl)-4-phenyl-4-propoxypiperidine is CCCOC1(c2ccccc2)CCN(CCCCl)CC1.
What is the InChIKey of 1-(3-chloropropyl)-4-phenyl-4-propoxypiperidine?
The InChIKey is JPICBPJRTPGTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-2-15-20-17(16-7-4-3-5-8-16)9-13-19(14-10-17)12-6-11-18/h3-5,7-8H,2,6,9-15H2,1H3.
What are the key properties of 1-(3-chloropropyl)-4-phenyl-4-propoxypiperidine?
1-(3-chloropropyl)-4-phenyl-4-propoxypiperidine has a molecular weight of 295.85 g/mol, XLogP of 4.03, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloropropyl)-4-phenyl-4-propoxypiperidine is sourced from PubChem (CID 21395249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).