(1-cyclohexylpyrrolidin-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate;hydrochloride

C23H34ClNO3 — CID 138396685

IUPAC(1-cyclohexylpyrrolidin-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate;hydrochloride
SMILESCl.O=C(OC1CCN(C2CCCCC2)C1)C(O)(c1ccccc1)C1CCCC1
InChIInChI=1S/C23H33NO3.ClH/c25-22(27-21-15-16-24(17-21)20-13-5-2-6-14-20)23(26,19-11-7-8-12-19)18-9-3-1-4-10-18;/h1,3-4,9-10,19-21,26H,2,5-8,11-17H2;1H
InChIKeyDGEPCDCYOHENND-UHFFFAOYSA-N
MW407.98 g/mol
LogP4.44
Rot. Bonds5

About (1-cyclohexylpyrrolidin-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate;hydrochloride

(1-cyclohexylpyrrolidin-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate;hydrochloride (PubChem CID 138396685) has the molecular formula C23H34ClNO3 and a molecular weight of 407.98 g/mol. Its IUPAC name is (1-cyclohexylpyrrolidin-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate;hydrochloride.

Molecular Properties

Compound Name(1-cyclohexylpyrrolidin-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate;hydrochloride
PubChem CID138396685
Molecular FormulaC23H34ClNO3
Molecular Weight407.98 g/mol
Exact Mass407.22
IUPAC Name(1-cyclohexylpyrrolidin-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate;hydrochloride
SMILESCl.O=C(OC1CCN(C2CCCCC2)C1)C(O)(c1ccccc1)C1CCCC1
InChIInChI=1S/C23H33NO3.ClH/c25-22(27-21-15-16-24(17-21)20-13-5-2-6-14-20)23(26,19-11-7-8-12-19)18-9-3-1-4-10-18;/h1,3-4,9-10,19-21,26H,2,5-8,11-17H2;1H
InChIKeyDGEPCDCYOHENND-UHFFFAOYSA-N
XLogP4.44
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.98
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(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
(1-butylpyrrolidin-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate;hydrochloride
CID 138396684
piperidin-3-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate;hydrochloride
CID 134123321
[(3S)-1,1-dimethylpyrrolidin-1-ium-3-yl] (2S)-2-cyclohexyl-2-hydroxy-2-phenylacetate
CID 21356427
ethyl 3-[3-[(2R)-2-cyclopentyl-2-hydroxy-2-phenylacetyl]oxypyrrolidin-1-yl]propanoate;hydrobromide
CID 175811913
[(3S)-1-ethyl-1-methylpyrrolidin-1-ium-3-yl] 2-cyclopentyl-2-hydroxy-2-phenylacetate;[(3S)-1-methylpyrrolidin-3-yl] 2-cyclopentyl-2-hydroxy-2-phenylacetate
CID 91220644
5-azoniaspiro[4.4]nonan-3-yl 2-cyclohexyl-2-hydroxy-2-phenylacetate
CID 3059296
[(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
[1-[N'-[(4-hydroxyphenyl)methyl]carbamimidoyl]piperidin-4-yl] (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate
CID 25222214
[1-[N'-[(3,5-difluorophenyl)methyl]carbamimidoyl]pyrrolidin-3-yl] 2-cyclopentyl-2-hydroxy-2-phenylacetate
CID 74433292

Frequently Asked Questions

What is the IUPAC name of (1-cyclohexylpyrrolidin-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate;hydrochloride?
The IUPAC name of (1-cyclohexylpyrrolidin-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate;hydrochloride (CID 138396685) is (1-cyclohexylpyrrolidin-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate;hydrochloride.
What is the SMILES notation for (1-cyclohexylpyrrolidin-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate;hydrochloride?
The canonical SMILES for (1-cyclohexylpyrrolidin-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate;hydrochloride is Cl.O=C(OC1CCN(C2CCCCC2)C1)C(O)(c1ccccc1)C1CCCC1.
What is the InChIKey of (1-cyclohexylpyrrolidin-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate;hydrochloride?
The InChIKey is DGEPCDCYOHENND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO3.ClH/c25-22(27-21-15-16-24(17-21)20-13-5-2-6-14-20)23(26,19-11-7-8-12-19)18-9-3-1-4-10-18;/h1,3-4,9-10,19-21,26H,2,5-8,11-17H2;1H.
What are the key properties of (1-cyclohexylpyrrolidin-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate;hydrochloride?
(1-cyclohexylpyrrolidin-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate;hydrochloride has a molecular weight of 407.98 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexylpyrrolidin-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate;hydrochloride is sourced from PubChem (CID 138396685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).