1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[1-(2-phenylethyl)cyclopentyl]ethanone;hydrochloride

C22H35ClN2O — CID 120814877

IUPAC1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[1-(2-phenylethyl)cyclopentyl]ethanone;hydrochloride
SMILESCC1(C)CN(C(=O)CC2(CCc3ccccc3)CCCC2)CCC1N.Cl
InChIInChI=1S/C22H34N2O.ClH/c1-21(2)17-24(15-11-19(21)23)20(25)16-22(12-6-7-13-22)14-10-18-8-4-3-5-9-18;/h3-5,8-9,19H,6-7,10-17,23H2,1-2H3;1H
InChIKeyFWFXINIJZWMXGR-UHFFFAOYSA-N
MW378.99 g/mol
LogP4.58
Rot. Bonds5

About 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[1-(2-phenylethyl)cyclopentyl]ethanone;hydrochloride

1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[1-(2-phenylethyl)cyclopentyl]ethanone;hydrochloride (PubChem CID 120814877) has the molecular formula C22H35ClN2O and a molecular weight of 378.99 g/mol. Its IUPAC name is 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[1-(2-phenylethyl)cyclopentyl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[1-(2-phenylethyl)cyclopentyl]ethanone;hydrochloride
PubChem CID120814877
Molecular FormulaC22H35ClN2O
Molecular Weight378.99 g/mol
Exact Mass378.24
IUPAC Name1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[1-(2-phenylethyl)cyclopentyl]ethanone;hydrochloride
SMILESCC1(C)CN(C(=O)CC2(CCc3ccccc3)CCCC2)CCC1N.Cl
InChIInChI=1S/C22H34N2O.ClH/c1-21(2)17-24(15-11-19(21)23)20(25)16-22(12-6-7-13-22)14-10-18-8-4-3-5-9-18;/h3-5,8-9,19H,6-7,10-17,23H2,1-2H3;1H
InChIKeyFWFXINIJZWMXGR-UHFFFAOYSA-N
XLogP4.58
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.99
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-phenylpropan-1-one
CID 115269770
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(1-phenylpyrazol-4-yl)ethanone;hydrochloride
CID 120815129
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-phenylmethoxyphenoxy)ethanone;hydrochloride
CID 120817423
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[1-(methylsulfonylmethyl)cyclopropyl]ethanone
CID 120819040
1-(4-amino-3,3-dimethylpiperidin-1-yl)-4-phenylbutane-1,4-dione
CID 120816946
(4-amino-3,3-dimethylpiperidin-1-yl)-phenylmethanone;hydrochloride
CID 120815405
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(3-methylphenyl)propan-1-one
CID 120818633
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-methylphenyl)ethanone
CID 115269778
(4-amino-3,3-dimethylpiperidin-1-yl)-(1-methylcyclopentyl)methanone
CID 120817727
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(2-bromophenyl)propan-1-one
CID 115276695
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(pyridin-2-ylmethylsulfanyl)ethanone;dihydrochloride
CID 120814691
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]ethanone;hydrochloride
CID 120819308

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[1-(2-phenylethyl)cyclopentyl]ethanone;hydrochloride?
The IUPAC name of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[1-(2-phenylethyl)cyclopentyl]ethanone;hydrochloride (CID 120814877) is 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[1-(2-phenylethyl)cyclopentyl]ethanone;hydrochloride.
What is the SMILES notation for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[1-(2-phenylethyl)cyclopentyl]ethanone;hydrochloride?
The canonical SMILES for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[1-(2-phenylethyl)cyclopentyl]ethanone;hydrochloride is CC1(C)CN(C(=O)CC2(CCc3ccccc3)CCCC2)CCC1N.Cl.
What is the InChIKey of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[1-(2-phenylethyl)cyclopentyl]ethanone;hydrochloride?
The InChIKey is FWFXINIJZWMXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O.ClH/c1-21(2)17-24(15-11-19(21)23)20(25)16-22(12-6-7-13-22)14-10-18-8-4-3-5-9-18;/h3-5,8-9,19H,6-7,10-17,23H2,1-2H3;1H.
What are the key properties of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[1-(2-phenylethyl)cyclopentyl]ethanone;hydrochloride?
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[1-(2-phenylethyl)cyclopentyl]ethanone;hydrochloride has a molecular weight of 378.99 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[1-(2-phenylethyl)cyclopentyl]ethanone;hydrochloride is sourced from PubChem (CID 120814877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).