piperidin-3-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate;hydrochloride

C18H26ClNO3 — CID 134123321

IUPACpiperidin-3-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate;hydrochloride
SMILESCl.O=C(OC1CCCNC1)C(O)(c1ccccc1)C1CCCC1
InChIInChI=1S/C18H25NO3.ClH/c20-17(22-16-11-6-12-19-13-16)18(21,15-9-4-5-10-15)14-7-2-1-3-8-14;/h1-3,7-8,15-16,19,21H,4-6,9-13H2;1H
InChIKeyURDTUOSXUSZILC-UHFFFAOYSA-N
MW339.86 g/mol
LogP2.78
Rot. Bonds4

About piperidin-3-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate;hydrochloride

piperidin-3-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate;hydrochloride (PubChem CID 134123321) has the molecular formula C18H26ClNO3 and a molecular weight of 339.86 g/mol. Its IUPAC name is piperidin-3-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate;hydrochloride.

Molecular Properties

Compound Namepiperidin-3-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate;hydrochloride
PubChem CID134123321
Molecular FormulaC18H26ClNO3
Molecular Weight339.86 g/mol
Exact Mass339.16
IUPAC Namepiperidin-3-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate;hydrochloride
SMILESCl.O=C(OC1CCCNC1)C(O)(c1ccccc1)C1CCCC1
InChIInChI=1S/C18H25NO3.ClH/c20-17(22-16-11-6-12-19-13-16)18(21,15-9-4-5-10-15)14-7-2-1-3-8-14;/h1-3,7-8,15-16,19,21H,4-6,9-13H2;1H
InChIKeyURDTUOSXUSZILC-UHFFFAOYSA-N
XLogP2.78
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.86
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze piperidin-3-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate;hydrochloride 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

3-azabicyclo[3.2.1]octan-8-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate
CID 11602361
[(3R)-pyrrolidin-3-yl] 2-hydroxy-2,2-diphenylacetate
CID 10613945
(1-methylpyrrolidin-3-yl) (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate
CID 59751377
[(3R)-1-methylpiperidin-3-yl] 2-cyclohexyl-2-hydroxy-2-phenylacetate
CID 118984357
[(3R)-1,1-dimethylpyrrolidin-1-ium-3-yl] 2-cyclopentyl-2-hydroxy-2-phenylacetate bromide
CID 16733901
(1,1-dimethylpyrrolidin-1-ium-3-yl) (2S)-2-cyclopentyl-2-hydroxy-2-phenylacetate chloride
CID 67246707
[(3S)-1,1-dimethylpyrrolidin-1-ium-3-yl] (2S)-2-cyclohexyl-2-hydroxy-2-phenylacetate
CID 21356427
(1-cyclohexylpyrrolidin-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate;hydrochloride
CID 138396685
5-azoniaspiro[4.4]nonan-3-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate bromide
CID 3059297
[(3S)-1,1-dimethylpyrrolidin-1-ium-3-yl] (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate;chloride;hydrate
CID 54760405
5-azoniaspiro[4.4]nonan-3-yl 2-cyclohexyl-2-hydroxy-2-phenylacetate
CID 3059296
[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl 2-cyclopentyl-2-hydroxy-2-phenylacetate
CID 11551423

Frequently Asked Questions

What is the IUPAC name of piperidin-3-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate;hydrochloride?
The IUPAC name of piperidin-3-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate;hydrochloride (CID 134123321) is piperidin-3-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate;hydrochloride.
What is the SMILES notation for piperidin-3-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate;hydrochloride?
The canonical SMILES for piperidin-3-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate;hydrochloride is Cl.O=C(OC1CCCNC1)C(O)(c1ccccc1)C1CCCC1.
What is the InChIKey of piperidin-3-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate;hydrochloride?
The InChIKey is URDTUOSXUSZILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3.ClH/c20-17(22-16-11-6-12-19-13-16)18(21,15-9-4-5-10-15)14-7-2-1-3-8-14;/h1-3,7-8,15-16,19,21H,4-6,9-13H2;1H.
What are the key properties of piperidin-3-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate;hydrochloride?
piperidin-3-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate;hydrochloride has a molecular weight of 339.86 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-3-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate;hydrochloride is sourced from PubChem (CID 134123321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).