2-(2,2-dimethylpyrrolidin-1-yl)ethyl 2-cyclopentyl-2-phenylacetate;hydrochloride

C21H32ClNO2 — CID 54609005

IUPAC2-(2,2-dimethylpyrrolidin-1-yl)ethyl 2-cyclopentyl-2-phenylacetate;hydrochloride
SMILESCC1(C)CCCN1CCOC(=O)C(c1ccccc1)C1CCCC1.Cl
InChIInChI=1S/C21H31NO2.ClH/c1-21(2)13-8-14-22(21)15-16-24-20(23)19(18-11-6-7-12-18)17-9-4-3-5-10-17;/h3-5,9-10,18-19H,6-8,11-16H2,1-2H3;1H
InChIKeyGUSDOGJFSAYPAK-UHFFFAOYSA-N
MW365.95 g/mol
LogP4.80
Rot. Bonds6

About 2-(2,2-dimethylpyrrolidin-1-yl)ethyl 2-cyclopentyl-2-phenylacetate;hydrochloride

2-(2,2-dimethylpyrrolidin-1-yl)ethyl 2-cyclopentyl-2-phenylacetate;hydrochloride (PubChem CID 54609005) has the molecular formula C21H32ClNO2 and a molecular weight of 365.95 g/mol. Its IUPAC name is 2-(2,2-dimethylpyrrolidin-1-yl)ethyl 2-cyclopentyl-2-phenylacetate;hydrochloride.

Molecular Properties

Compound Name2-(2,2-dimethylpyrrolidin-1-yl)ethyl 2-cyclopentyl-2-phenylacetate;hydrochloride
PubChem CID54609005
Molecular FormulaC21H32ClNO2
Molecular Weight365.95 g/mol
Exact Mass365.21
IUPAC Name2-(2,2-dimethylpyrrolidin-1-yl)ethyl 2-cyclopentyl-2-phenylacetate;hydrochloride
SMILESCC1(C)CCCN1CCOC(=O)C(c1ccccc1)C1CCCC1.Cl
InChIInChI=1S/C21H31NO2.ClH/c1-21(2)13-8-14-22(21)15-16-24-20(23)19(18-11-6-7-12-18)17-9-4-3-5-10-17;/h3-5,9-10,18-19H,6-8,11-16H2,1-2H3;1H
InChIKeyGUSDOGJFSAYPAK-UHFFFAOYSA-N
XLogP4.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.95
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-cyclohexyl-2-phenylacetyl)oxyethyl-diethyl-methylazanium bromide
CID 21149401
2,2,2-trichloroethyl 2-cyclohexyl-2-phenylacetate
CID 132507393
methyl 2-cyclopropyl-2-phenylacetate
CID 82075532
(2R)-2-cyclohexyl-2-phenylacetate
CID 6931336
1-[(2S)-2-cyclopentyl-2-phenylacetyl]-4-hydroxypiperidine-4-carboxylic acid
CID 95543173
2-cyclopentyl-2-phenylacetic acid;2-(2-hydroxyethoxy)ethanol
CID 175204467
[5-[[methyl(propan-2-yl)amino]methyl]furan-2-yl]methyl 2-cyclohexyl-2-phenylacetate
CID 10407630
1-cyclopentyl-3,3-dimethyl-1-phenylbutan-2-one
CID 118698010
3-(2,2-dimethylpyrrolidin-1-yl)-2,2-dimethyl-1-phenylpropan-1-ol
CID 63218416
(1-benzylpyrrolidin-3-yl) 2-cyclopentyl-2-phenylacetate
CID 117065975
1-(3-bromo-2-phenylpropyl)-2,2-dimethylpyrrolidine
CID 65015121
ethyl (2S)-2-(4-bromophenyl)-2-cyclopentylacetate
CID 124638237

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpyrrolidin-1-yl)ethyl 2-cyclopentyl-2-phenylacetate;hydrochloride?
The IUPAC name of 2-(2,2-dimethylpyrrolidin-1-yl)ethyl 2-cyclopentyl-2-phenylacetate;hydrochloride (CID 54609005) is 2-(2,2-dimethylpyrrolidin-1-yl)ethyl 2-cyclopentyl-2-phenylacetate;hydrochloride.
What is the SMILES notation for 2-(2,2-dimethylpyrrolidin-1-yl)ethyl 2-cyclopentyl-2-phenylacetate;hydrochloride?
The canonical SMILES for 2-(2,2-dimethylpyrrolidin-1-yl)ethyl 2-cyclopentyl-2-phenylacetate;hydrochloride is CC1(C)CCCN1CCOC(=O)C(c1ccccc1)C1CCCC1.Cl.
What is the InChIKey of 2-(2,2-dimethylpyrrolidin-1-yl)ethyl 2-cyclopentyl-2-phenylacetate;hydrochloride?
The InChIKey is GUSDOGJFSAYPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO2.ClH/c1-21(2)13-8-14-22(21)15-16-24-20(23)19(18-11-6-7-12-18)17-9-4-3-5-10-17;/h3-5,9-10,18-19H,6-8,11-16H2,1-2H3;1H.
What are the key properties of 2-(2,2-dimethylpyrrolidin-1-yl)ethyl 2-cyclopentyl-2-phenylacetate;hydrochloride?
2-(2,2-dimethylpyrrolidin-1-yl)ethyl 2-cyclopentyl-2-phenylacetate;hydrochloride has a molecular weight of 365.95 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpyrrolidin-1-yl)ethyl 2-cyclopentyl-2-phenylacetate;hydrochloride is sourced from PubChem (CID 54609005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).