3-(4-chlorophenyl)-1-propoxypiperidine

C14H20ClNO — CID 91502284

IUPAC3-(4-chlorophenyl)-1-propoxypiperidine
SMILESCCCON1CCCC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C14H20ClNO/c1-2-10-17-16-9-3-4-13(11-16)12-5-7-14(15)8-6-12/h5-8,13H,2-4,9-11H2,1H3
InChIKeyPABQXVYSKSAEGU-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.86
Rot. Bonds4

About 3-(4-chlorophenyl)-1-propoxypiperidine

3-(4-chlorophenyl)-1-propoxypiperidine (PubChem CID 91502284) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-propoxypiperidine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-propoxypiperidine
PubChem CID91502284
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name3-(4-chlorophenyl)-1-propoxypiperidine
SMILESCCCON1CCCC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C14H20ClNO/c1-2-10-17-16-9-3-4-13(11-16)12-5-7-14(15)8-6-12/h5-8,13H,2-4,9-11H2,1H3
InChIKeyPABQXVYSKSAEGU-UHFFFAOYSA-N
XLogP3.86
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(4-chlorophenyl)piperidin-1-yl]acetic acid
CID 131892982
3-(4-methoxyphenyl)-1-propylpiperidine;hydrochloride
CID 70348446
3-phenyl-1-propylpiperidine
CID 12937946
2-amino-1-[3-(4-chlorophenyl)pyrrolidin-1-yl]ethanone
CID 83541941
3-(4-chlorophenyl)-N-pentan-3-ylazepane-1-carboxamide
CID 121146730
3-(4-chlorophenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
CID 167080813
2-[[3-(4-chlorophenyl)piperidin-1-yl]methyl]-4-methoxypyridine
CID 135105893
1-[3-(4-chlorophenyl)piperidin-1-yl]-3-(4-hydroxyphenyl)propan-1-one
CID 118779777
1-[3-(4-chlorophenyl)piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 118765182
(3S)-N-(1-acetylpiperidin-4-yl)-3-(4-chlorophenyl)piperidine-1-carboxamide
CID 126433474
1-[3-(4-chlorophenyl)azepan-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 121146543
(3S)-3-(4-chlorophenyl)-N-propan-2-ylazepane-1-carboxamide
CID 99876758

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-propoxypiperidine?
The IUPAC name of 3-(4-chlorophenyl)-1-propoxypiperidine (CID 91502284) is 3-(4-chlorophenyl)-1-propoxypiperidine.
What is the SMILES notation for 3-(4-chlorophenyl)-1-propoxypiperidine?
The canonical SMILES for 3-(4-chlorophenyl)-1-propoxypiperidine is CCCON1CCCC(c2ccc(Cl)cc2)C1.
What is the InChIKey of 3-(4-chlorophenyl)-1-propoxypiperidine?
The InChIKey is PABQXVYSKSAEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-2-10-17-16-9-3-4-13(11-16)12-5-7-14(15)8-6-12/h5-8,13H,2-4,9-11H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-1-propoxypiperidine?
3-(4-chlorophenyl)-1-propoxypiperidine has a molecular weight of 253.77 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-propoxypiperidine is sourced from PubChem (CID 91502284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).