(1-aminocyclopentyl)-(4-phenylpiperidin-1-yl)methanone;hydrochloride

C17H25ClN2O — CID 119278406

IUPAC(1-aminocyclopentyl)-(4-phenylpiperidin-1-yl)methanone;hydrochloride
SMILESCl.NC1(C(=O)N2CCC(c3ccccc3)CC2)CCCC1
InChIInChI=1S/C17H24N2O.ClH/c18-17(10-4-5-11-17)16(20)19-12-8-15(9-13-19)14-6-2-1-3-7-14;/h1-3,6-7,15H,4-5,8-13,18H2;1H
InChIKeySEMMRFDZWCYUPB-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.09
Rot. Bonds2

About (1-aminocyclopentyl)-(4-phenylpiperidin-1-yl)methanone;hydrochloride

(1-aminocyclopentyl)-(4-phenylpiperidin-1-yl)methanone;hydrochloride (PubChem CID 119278406) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is (1-aminocyclopentyl)-(4-phenylpiperidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(1-aminocyclopentyl)-(4-phenylpiperidin-1-yl)methanone;hydrochloride
PubChem CID119278406
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name(1-aminocyclopentyl)-(4-phenylpiperidin-1-yl)methanone;hydrochloride
SMILESCl.NC1(C(=O)N2CCC(c3ccccc3)CC2)CCCC1
InChIInChI=1S/C17H24N2O.ClH/c18-17(10-4-5-11-17)16(20)19-12-8-15(9-13-19)14-6-2-1-3-7-14;/h1-3,6-7,15H,4-5,8-13,18H2;1H
InChIKeySEMMRFDZWCYUPB-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-aminocyclopentyl)-(4-phenylazepan-1-yl)methanone;hydrochloride
CID 119316131
(1-aminocyclopropyl)-(4-phenylazepan-1-yl)methanone
CID 119770810
[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-phenylmethanone;hydrochloride
CID 119276681
(1-aminocyclohexyl)-(4-phenoxypiperidin-1-yl)methanone
CID 119290343
(1-aminocyclopentyl)-[4-(phenoxymethyl)piperidin-1-yl]methanone
CID 119304906
[4-(aminomethyl)oxan-4-yl]-(4-phenylpiperidin-1-yl)methanone
CID 120921219
(2-amino-1-methylcyclopentyl)-(4-phenylpiperidin-1-yl)methanone
CID 82764379
(1-aminocyclopropyl)-(4-phenoxypiperidin-1-yl)methanone;hydrochloride
CID 119725071
(1-aminocyclopentyl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanone
CID 119337122
1-amino-N-(4-phenylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride
CID 119285410
4-phenylpiperidine-1-carbothioic S-acid
CID 174725157
(1-aminocyclopentyl)-(4-benzhydrylpiperazin-1-yl)methanone
CID 119826679

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopentyl)-(4-phenylpiperidin-1-yl)methanone;hydrochloride?
The IUPAC name of (1-aminocyclopentyl)-(4-phenylpiperidin-1-yl)methanone;hydrochloride (CID 119278406) is (1-aminocyclopentyl)-(4-phenylpiperidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (1-aminocyclopentyl)-(4-phenylpiperidin-1-yl)methanone;hydrochloride?
The canonical SMILES for (1-aminocyclopentyl)-(4-phenylpiperidin-1-yl)methanone;hydrochloride is Cl.NC1(C(=O)N2CCC(c3ccccc3)CC2)CCCC1.
What is the InChIKey of (1-aminocyclopentyl)-(4-phenylpiperidin-1-yl)methanone;hydrochloride?
The InChIKey is SEMMRFDZWCYUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O.ClH/c18-17(10-4-5-11-17)16(20)19-12-8-15(9-13-19)14-6-2-1-3-7-14;/h1-3,6-7,15H,4-5,8-13,18H2;1H.
What are the key properties of (1-aminocyclopentyl)-(4-phenylpiperidin-1-yl)methanone;hydrochloride?
(1-aminocyclopentyl)-(4-phenylpiperidin-1-yl)methanone;hydrochloride has a molecular weight of 308.85 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopentyl)-(4-phenylpiperidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119278406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).