(3-aminocyclohexyl)-(3-phenylpyrrolidin-1-yl)methanone;hydrochloride

C17H25ClN2O — CID 119724972

IUPAC(3-aminocyclohexyl)-(3-phenylpyrrolidin-1-yl)methanone;hydrochloride
SMILESCl.NC1CCCC(C(=O)N2CCC(c3ccccc3)C2)C1
InChIInChI=1S/C17H24N2O.ClH/c18-16-8-4-7-14(11-16)17(20)19-10-9-15(12-19)13-5-2-1-3-6-13;/h1-3,5-6,14-16H,4,7-12,18H2;1H
InChIKeyVHDJDDFKYXPJTE-UHFFFAOYSA-N
MW308.85 g/mol
LogP2.94
Rot. Bonds2

About (3-aminocyclohexyl)-(3-phenylpyrrolidin-1-yl)methanone;hydrochloride

(3-aminocyclohexyl)-(3-phenylpyrrolidin-1-yl)methanone;hydrochloride (PubChem CID 119724972) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is (3-aminocyclohexyl)-(3-phenylpyrrolidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminocyclohexyl)-(3-phenylpyrrolidin-1-yl)methanone;hydrochloride
PubChem CID119724972
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name(3-aminocyclohexyl)-(3-phenylpyrrolidin-1-yl)methanone;hydrochloride
SMILESCl.NC1CCCC(C(=O)N2CCC(c3ccccc3)C2)C1
InChIInChI=1S/C17H24N2O.ClH/c18-16-8-4-7-14(11-16)17(20)19-10-9-15(12-19)13-5-2-1-3-6-13;/h1-3,5-6,14-16H,4,7-12,18H2;1H
InChIKeyVHDJDDFKYXPJTE-UHFFFAOYSA-N
XLogP2.94
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,3R)-3-[(3S)-3-phenylpyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 124778341
[(1S,3R)-3-phenylcyclopentyl]-[(3R)-3-phenylpyrrolidin-1-yl]methanone;hydrochloride
CID 161457507
(3-aminocyclohexyl)-(3-methyl-4-phenylpiperidin-1-yl)methanone
CID 119805710
[(1S,3R)-3-aminocyclohexyl]-[(3S)-3-(3,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 124688925
(2-phenylcyclopropyl)-(3-phenylpyrrolidin-1-yl)methanone;hydrochloride
CID 5331349
(3-aminocyclohexyl)-(4-phenyl-1,4-diazepan-1-yl)methanone;dihydrochloride
CID 119860777
(2-hydroxycyclopentyl)-(3-phenylpyrrolidin-1-yl)methanone
CID 110014366
(3-aminocyclohexyl)-(azepan-1-yl)methanone;hydrochloride
CID 119669540
[(1S,3R)-3-aminocyclohexyl]-[(2R,3S)-2-methyl-3-phenylpyrrolidin-1-yl]methanone
CID 125135133
(3-aminocyclohexyl)-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]methanone;dihydrochloride
CID 119875229
1-(3-aminocyclohexanecarbonyl)piperidine-4-carboxylic acid
CID 63046092
[(1R,3S)-3-aminocyclohexyl]-(4-fluoropiperidin-1-yl)methanone;hydrochloride
CID 154910496

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclohexyl)-(3-phenylpyrrolidin-1-yl)methanone;hydrochloride?
The IUPAC name of (3-aminocyclohexyl)-(3-phenylpyrrolidin-1-yl)methanone;hydrochloride (CID 119724972) is (3-aminocyclohexyl)-(3-phenylpyrrolidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (3-aminocyclohexyl)-(3-phenylpyrrolidin-1-yl)methanone;hydrochloride?
The canonical SMILES for (3-aminocyclohexyl)-(3-phenylpyrrolidin-1-yl)methanone;hydrochloride is Cl.NC1CCCC(C(=O)N2CCC(c3ccccc3)C2)C1.
What is the InChIKey of (3-aminocyclohexyl)-(3-phenylpyrrolidin-1-yl)methanone;hydrochloride?
The InChIKey is VHDJDDFKYXPJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O.ClH/c18-16-8-4-7-14(11-16)17(20)19-10-9-15(12-19)13-5-2-1-3-6-13;/h1-3,5-6,14-16H,4,7-12,18H2;1H.
What are the key properties of (3-aminocyclohexyl)-(3-phenylpyrrolidin-1-yl)methanone;hydrochloride?
(3-aminocyclohexyl)-(3-phenylpyrrolidin-1-yl)methanone;hydrochloride has a molecular weight of 308.85 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclohexyl)-(3-phenylpyrrolidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119724972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).