1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-methylcyclopentyl)ethanone;hydrochloride

C15H29ClN2O — CID 119519416

IUPAC1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-methylcyclopentyl)ethanone;hydrochloride
SMILESCC1CCC(CC(=O)N2CCC(C(C)N)CC2)C1.Cl
InChIInChI=1S/C15H28N2O.ClH/c1-11-3-4-13(9-11)10-15(18)17-7-5-14(6-8-17)12(2)16;/h11-14H,3-10,16H2,1-2H3;1H
InChIKeyHTNDYGLFDOSTAZ-UHFFFAOYSA-N
MW288.86 g/mol
LogP2.82
Rot. Bonds3

About 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-methylcyclopentyl)ethanone;hydrochloride

1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-methylcyclopentyl)ethanone;hydrochloride (PubChem CID 119519416) has the molecular formula C15H29ClN2O and a molecular weight of 288.86 g/mol. Its IUPAC name is 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-methylcyclopentyl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-methylcyclopentyl)ethanone;hydrochloride
PubChem CID119519416
Molecular FormulaC15H29ClN2O
Molecular Weight288.86 g/mol
Exact Mass288.20
IUPAC Name1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-methylcyclopentyl)ethanone;hydrochloride
SMILESCC1CCC(CC(=O)N2CCC(C(C)N)CC2)C1.Cl
InChIInChI=1S/C15H28N2O.ClH/c1-11-3-4-13(9-11)10-15(18)17-7-5-14(6-8-17)12(2)16;/h11-14H,3-10,16H2,1-2H3;1H
InChIKeyHTNDYGLFDOSTAZ-UHFFFAOYSA-N
XLogP2.82
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.86
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-ethoxycyclobutyl)ethanone
CID 103164939
1-[4-(1-aminoethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 63594642
1-[4-(1-aminoethyl)piperidin-1-yl]-3-ethylpentan-1-one;hydrochloride
CID 119518372
1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one;hydrochloride
CID 119260463
1-(3-aminopiperidin-1-yl)-2-(3-methylcyclopentyl)ethanone
CID 119380103
1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclohexylpropan-1-one;hydrochloride
CID 119519992
1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one
CID 63596026
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(trifluoromethylsulfanyl)ethanone;hydrochloride
CID 119517514
1-[4-(1-aminoethyl)piperidin-1-yl]-5,5-dimethylhexan-1-one;hydrochloride
CID 119520948
1-[4-(1-aminoethyl)piperidin-1-yl]-4-(dipropylamino)butan-1-one;dihydrochloride
CID 119518214
[4-(1-aminoethyl)piperidin-1-yl]-(4-butylcyclohexyl)methanone;hydrochloride
CID 119520046
2-cyclohexyl-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 155469719

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-methylcyclopentyl)ethanone;hydrochloride?
The IUPAC name of 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-methylcyclopentyl)ethanone;hydrochloride (CID 119519416) is 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-methylcyclopentyl)ethanone;hydrochloride.
What is the SMILES notation for 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-methylcyclopentyl)ethanone;hydrochloride?
The canonical SMILES for 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-methylcyclopentyl)ethanone;hydrochloride is CC1CCC(CC(=O)N2CCC(C(C)N)CC2)C1.Cl.
What is the InChIKey of 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-methylcyclopentyl)ethanone;hydrochloride?
The InChIKey is HTNDYGLFDOSTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O.ClH/c1-11-3-4-13(9-11)10-15(18)17-7-5-14(6-8-17)12(2)16;/h11-14H,3-10,16H2,1-2H3;1H.
What are the key properties of 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-methylcyclopentyl)ethanone;hydrochloride?
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-methylcyclopentyl)ethanone;hydrochloride has a molecular weight of 288.86 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-methylcyclopentyl)ethanone;hydrochloride is sourced from PubChem (CID 119519416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).