[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorophenyl)cyclohexyl]methanone;hydrochloride

C17H24Cl2N2O — CID 119409853

IUPAC[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorophenyl)cyclohexyl]methanone;hydrochloride
SMILESCl.N[C@@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCCC2)C1
InChIInChI=1S/C17H23ClN2O.ClH/c18-14-6-4-13(5-7-14)17(9-2-1-3-10-17)16(21)20-11-8-15(19)12-20;/h4-7,15H,1-3,8-12,19H2;1H/t15-;/m1./s1
InChIKeyRKVNCPQXKVWQMO-XFULWGLBSA-N
MW343.30 g/mol
LogP3.52
Rot. Bonds2

About [(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorophenyl)cyclohexyl]methanone;hydrochloride

[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorophenyl)cyclohexyl]methanone;hydrochloride (PubChem CID 119409853) has the molecular formula C17H24Cl2N2O and a molecular weight of 343.30 g/mol. Its IUPAC name is [(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorophenyl)cyclohexyl]methanone;hydrochloride.

Molecular Properties

Compound Name[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorophenyl)cyclohexyl]methanone;hydrochloride
PubChem CID119409853
Molecular FormulaC17H24Cl2N2O
Molecular Weight343.30 g/mol
Exact Mass342.13
IUPAC Name[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorophenyl)cyclohexyl]methanone;hydrochloride
SMILESCl.N[C@@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCCC2)C1
InChIInChI=1S/C17H23ClN2O.ClH/c18-14-6-4-13(5-7-14)17(9-2-1-3-10-17)16(21)20-11-8-15(19)12-20;/h4-7,15H,1-3,8-12,19H2;1H/t15-;/m1./s1
InChIKeyRKVNCPQXKVWQMO-XFULWGLBSA-N
XLogP3.52
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.30
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-aminopyrrolidin-1-yl)-[1-(4-propan-2-ylphenyl)cyclopentyl]methanone;hydrochloride
CID 75495859
1-[1-(4-chlorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxamide
CID 56813691
1-[1-(4-chlorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid
CID 119355153
[(3S)-3-aminopyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride
CID 119934201
[1-(4-chlorophenyl)cyclopentyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119396144
(3-aminopiperidin-1-yl)-[1-(4-bromophenyl)cyclobutyl]methanone;hydrochloride
CID 119380404
[1-(4-chlorophenyl)cyclobutyl]-(3-methylpiperidin-1-yl)methanone
CID 59277648
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(4-chlorophenyl)cyclohexyl]methanone;hydrochloride
CID 120657064
[(3R)-3-aminopyrrolidin-1-yl]-[4-(4-fluorophenyl)oxan-4-yl]methanone;hydrochloride
CID 119409516
[3-(aminomethyl)pyrrolidin-1-yl]-[1-(4-propan-2-ylphenyl)cyclopentyl]methanone;hydrochloride
CID 119486719
[1-(4-chlorophenyl)cyclopropyl]-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride
CID 119636111
[1-(4-chlorophenyl)cyclobutyl]-(3-hydroxypiperidin-1-yl)methanone;ethane
CID 142125179

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorophenyl)cyclohexyl]methanone;hydrochloride?
The IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorophenyl)cyclohexyl]methanone;hydrochloride (CID 119409853) is [(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorophenyl)cyclohexyl]methanone;hydrochloride.
What is the SMILES notation for [(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorophenyl)cyclohexyl]methanone;hydrochloride?
The canonical SMILES for [(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorophenyl)cyclohexyl]methanone;hydrochloride is Cl.N[C@@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCCC2)C1.
What is the InChIKey of [(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorophenyl)cyclohexyl]methanone;hydrochloride?
The InChIKey is RKVNCPQXKVWQMO-XFULWGLBSA-N. The full InChI is InChI=1S/C17H23ClN2O.ClH/c18-14-6-4-13(5-7-14)17(9-2-1-3-10-17)16(21)20-11-8-15(19)12-20;/h4-7,15H,1-3,8-12,19H2;1H/t15-;/m1./s1.
What are the key properties of [(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorophenyl)cyclohexyl]methanone;hydrochloride?
[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorophenyl)cyclohexyl]methanone;hydrochloride has a molecular weight of 343.30 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorophenyl)cyclohexyl]methanone;hydrochloride is sourced from PubChem (CID 119409853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).