1-[2-(3-chlorophenyl)propyl]piperidin-4-ol

C14H20ClNO — CID 86804164

IUPAC1-[2-(3-chlorophenyl)propyl]piperidin-4-ol
SMILESCC(CN1CCC(O)CC1)c1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO/c1-11(12-3-2-4-13(15)9-12)10-16-7-5-14(17)6-8-16/h2-4,9,11,14,17H,5-8,10H2,1H3
InChIKeyLMFVQEMOCRSBKF-UHFFFAOYSA-N
MW253.77 g/mol
LogP2.90
Rot. Bonds3

About 1-[2-(3-chlorophenyl)propyl]piperidin-4-ol

1-[2-(3-chlorophenyl)propyl]piperidin-4-ol (PubChem CID 86804164) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)propyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)propyl]piperidin-4-ol
PubChem CID86804164
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name1-[2-(3-chlorophenyl)propyl]piperidin-4-ol
SMILESCC(CN1CCC(O)CC1)c1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO/c1-11(12-3-2-4-13(15)9-12)10-16-7-5-14(17)6-8-16/h2-4,9,11,14,17H,5-8,10H2,1H3
InChIKeyLMFVQEMOCRSBKF-UHFFFAOYSA-N
XLogP2.90
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(2S)-2-(3-chlorophenyl)propyl]piperidin-4-yl]acetamide
CID 99828801
N-[1-[(2S)-2-(3-chlorophenyl)propyl]piperidin-4-yl]acetamide
CID 99823532
2-[1-[2-(3-chlorophenyl)propyl]piperidin-4-yl]-N-methylethanamine;hydrochloride
CID 120843488
1-[2-(3-chlorophenyl)propyl]piperidin-3-amine
CID 120834767
1-[2-(3-chlorophenyl)propyl]-N-methylpiperidin-3-amine
CID 120837905
[4-[2-(3-chlorophenyl)propyl]morpholin-2-yl]methanol
CID 86817957
1-[3-(3-chlorophenyl)-3-hydroxypropyl]pyrrolidin-3-ol
CID 62941193
(2S,6R)-4-[(2R)-2-(3-chlorophenyl)propyl]-6-methylmorpholine-2-carboxamide
CID 99857105
N-[1-[2-(3-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]-N-methylmethanesulfonamide
CID 71986979
(3S)-1-[[2-[[[(1R)-1-(3-chlorophenyl)ethyl]amino]methyl]phenyl]methyl]pyrrolidin-3-ol
CID 124615120
(3R)-1-[[2-[[[(1S)-1-(3-chlorophenyl)ethyl]amino]methyl]phenyl]methyl]pyrrolidin-3-ol
CID 124828861
1-[2-(3-chlorophenyl)-2-hydroxyethyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 111487644

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)propyl]piperidin-4-ol?
The IUPAC name of 1-[2-(3-chlorophenyl)propyl]piperidin-4-ol (CID 86804164) is 1-[2-(3-chlorophenyl)propyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-(3-chlorophenyl)propyl]piperidin-4-ol?
The canonical SMILES for 1-[2-(3-chlorophenyl)propyl]piperidin-4-ol is CC(CN1CCC(O)CC1)c1cccc(Cl)c1.
What is the InChIKey of 1-[2-(3-chlorophenyl)propyl]piperidin-4-ol?
The InChIKey is LMFVQEMOCRSBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-11(12-3-2-4-13(15)9-12)10-16-7-5-14(17)6-8-16/h2-4,9,11,14,17H,5-8,10H2,1H3.
What are the key properties of 1-[2-(3-chlorophenyl)propyl]piperidin-4-ol?
1-[2-(3-chlorophenyl)propyl]piperidin-4-ol has a molecular weight of 253.77 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)propyl]piperidin-4-ol is sourced from PubChem (CID 86804164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).