1-[3-(3-chlorophenoxy)propyl]piperidin-3-ol

C14H20ClNO2 — CID 110908224

IUPAC1-[3-(3-chlorophenoxy)propyl]piperidin-3-ol
SMILESOC1CCCN(CCCOc2cccc(Cl)c2)C1
InChIInChI=1S/C14H20ClNO2/c15-12-4-1-6-14(10-12)18-9-3-8-16-7-2-5-13(17)11-16/h1,4,6,10,13,17H,2-3,5,7-9,11H2
InChIKeyPWPWHBILQXOSRK-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.57
Rot. Bonds5

About 1-[3-(3-chlorophenoxy)propyl]piperidin-3-ol

1-[3-(3-chlorophenoxy)propyl]piperidin-3-ol (PubChem CID 110908224) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 1-[3-(3-chlorophenoxy)propyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[3-(3-chlorophenoxy)propyl]piperidin-3-ol
PubChem CID110908224
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name1-[3-(3-chlorophenoxy)propyl]piperidin-3-ol
SMILESOC1CCCN(CCCOc2cccc(Cl)c2)C1
InChIInChI=1S/C14H20ClNO2/c15-12-4-1-6-14(10-12)18-9-3-8-16-7-2-5-13(17)11-16/h1,4,6,10,13,17H,2-3,5,7-9,11H2
InChIKeyPWPWHBILQXOSRK-UHFFFAOYSA-N
XLogP2.57
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-[3-(3-chlorophenoxy)propyl]pyrrolidin-3-yl]methanol
CID 111442585
1-[2-(3-aminophenoxy)ethyl]piperidin-3-ol
CID 43575244
3-[2-(3-hydroxypiperidin-1-yl)ethoxy]benzoic acid
CID 61434873
1-[6-(3-chlorophenoxy)hexyl]piperidine
CID 2057716
1-[6-(3-chlorophenoxy)hexyl]azepane
CID 127038677
N-[2-(3-chlorophenoxy)ethyl]-3-hydroxypiperidine-1-carboxamide
CID 110896626
5-[(3R)-1-[3-(3-chlorophenoxy)propyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 95149279
1-[3-(2,3-dimethylphenoxy)propyl]piperidin-3-ol
CID 127029872
ethyl (3S)-1-[2-(3-chlorophenoxy)ethyl]piperidine-3-carboxylate
CID 27186879
(3S)-1-[3-[3-[(3S)-3-hydroxypiperidin-1-yl]propoxy]propyl]piperidin-3-ol
CID 142756274
1-[3-(3-chlorophenyl)-3-(methylamino)propyl]piperidin-3-ol
CID 55098461
1-[2-[2-(3-chlorophenoxy)ethoxy]ethyl]piperidine
CID 2245896

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-chlorophenoxy)propyl]piperidin-3-ol?
The IUPAC name of 1-[3-(3-chlorophenoxy)propyl]piperidin-3-ol (CID 110908224) is 1-[3-(3-chlorophenoxy)propyl]piperidin-3-ol.
What is the SMILES notation for 1-[3-(3-chlorophenoxy)propyl]piperidin-3-ol?
The canonical SMILES for 1-[3-(3-chlorophenoxy)propyl]piperidin-3-ol is OC1CCCN(CCCOc2cccc(Cl)c2)C1.
What is the InChIKey of 1-[3-(3-chlorophenoxy)propyl]piperidin-3-ol?
The InChIKey is PWPWHBILQXOSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c15-12-4-1-6-14(10-12)18-9-3-8-16-7-2-5-13(17)11-16/h1,4,6,10,13,17H,2-3,5,7-9,11H2.
What are the key properties of 1-[3-(3-chlorophenoxy)propyl]piperidin-3-ol?
1-[3-(3-chlorophenoxy)propyl]piperidin-3-ol has a molecular weight of 269.77 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-chlorophenoxy)propyl]piperidin-3-ol is sourced from PubChem (CID 110908224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).