4-[2-(3-chlorophenyl)ethynyl]piperidin-4-ol

C13H14ClNO — CID 59830226

IUPAC4-[2-(3-chlorophenyl)ethynyl]piperidin-4-ol
SMILESOC1(C#Cc2cccc(Cl)c2)CCNCC1
InChIInChI=1S/C13H14ClNO/c14-12-3-1-2-11(10-12)4-5-13(16)6-8-15-9-7-13/h1-3,10,15-16H,6-9H2
InChIKeyHQTOBSAEGIRNPV-UHFFFAOYSA-N
MW235.71 g/mol
LogP1.81
Rot. Bonds

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

4-[2-(3-chlorophenyl)ethynyl]piperidin-4-ol (PubChem CID 59830226) has the molecular formula C13H14ClNO and a molecular weight of 235.71 g/mol. Its IUPAC name is 4-[2-(3-chlorophenyl)ethynyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[2-(3-chlorophenyl)ethynyl]piperidin-4-ol
PubChem CID59830226
Molecular FormulaC13H14ClNO
Molecular Weight235.71 g/mol
Exact Mass235.08
IUPAC Name4-[2-(3-chlorophenyl)ethynyl]piperidin-4-ol
SMILESOC1(C#Cc2cccc(Cl)c2)CCNCC1
InChIInChI=1S/C13H14ClNO/c14-12-3-1-2-11(10-12)4-5-13(16)6-8-15-9-7-13/h1-3,10,15-16H,6-9H2
InChIKeyHQTOBSAEGIRNPV-UHFFFAOYSA-N
XLogP1.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(3-chlorophenyl)ethynyl]-1-pyrimidin-2-ylpiperidin-4-ol
CID 69322850
4-[2-(3-chlorophenyl)ethynyl]-1-(6-chloro-2-pyridinyl)piperidin-4-ol
CID 87781928
methyl N-[4-[2-(3-chlorophenyl)ethynyl]-4-hydroxycyclohexyl]carbamate
CID 11961000
(1R)-3-[2-(3-chlorophenyl)ethynyl]-3-hydroxycyclohexane-1-carboxamide
CID 91479889
1-(1,3-benzothiazol-2-yl)-4-[2-(3-chlorophenyl)ethynyl]piperidin-4-ol
CID 69318824
tert-butyl N-[4-[2-(3-chlorophenyl)ethynyl]-4-hydroxycyclohexyl]carbamate
CID 11960999
[4-[2-(3-chlorophenyl)ethynyl]-4-hydroxypiperidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 69320476
methyl 4-[4-[2-(3-chlorophenyl)ethynyl]-4-hydroxypiperidine-1-carbonyl]cyclohexane-1-carboxylate
CID 69323149
3-[2-(3-chlorophenyl)ethynyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene
CID 57493822
(5-bromo-3-pyridinyl)-[4-[2-(3-chlorophenyl)ethynyl]-4-hydroxypiperidin-1-yl]methanone
CID 69320642
[4-[2-(3-chlorophenyl)ethynyl]-4-hydroxypiperidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 69317116
4-[2-(3-chlorophenyl)ethynyl]-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol
CID 69317946

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-chlorophenyl)ethynyl]piperidin-4-ol?
The IUPAC name of 4-[2-(3-chlorophenyl)ethynyl]piperidin-4-ol (CID 59830226) is 4-[2-(3-chlorophenyl)ethynyl]piperidin-4-ol.
What is the SMILES notation for 4-[2-(3-chlorophenyl)ethynyl]piperidin-4-ol?
The canonical SMILES for 4-[2-(3-chlorophenyl)ethynyl]piperidin-4-ol is OC1(C#Cc2cccc(Cl)c2)CCNCC1.
What is the InChIKey of 4-[2-(3-chlorophenyl)ethynyl]piperidin-4-ol?
The InChIKey is HQTOBSAEGIRNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO/c14-12-3-1-2-11(10-12)4-5-13(16)6-8-15-9-7-13/h1-3,10,15-16H,6-9H2.
What are the key properties of 4-[2-(3-chlorophenyl)ethynyl]piperidin-4-ol?
4-[2-(3-chlorophenyl)ethynyl]piperidin-4-ol has a molecular weight of 235.71 g/mol, XLogP of 1.81, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-chlorophenyl)ethynyl]piperidin-4-ol is sourced from PubChem (CID 59830226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).