2-[4-(aminomethyl)piperidin-1-yl]-1-cyclopentylethanone;hydrochloride

C13H25ClN2O — CID 146676030

IUPAC2-[4-(aminomethyl)piperidin-1-yl]-1-cyclopentylethanone;hydrochloride
SMILESCl.NCC1CCN(CC(=O)C2CCCC2)CC1
InChIInChI=1S/C13H24N2O.ClH/c14-9-11-5-7-15(8-6-11)10-13(16)12-3-1-2-4-12;/h11-12H,1-10,14H2;1H
InChIKeyVWJCJNSUZUOSAU-UHFFFAOYSA-N
MW260.81 g/mol
LogP1.84
Rot. Bonds4

About 2-[4-(aminomethyl)piperidin-1-yl]-1-cyclopentylethanone;hydrochloride

2-[4-(aminomethyl)piperidin-1-yl]-1-cyclopentylethanone;hydrochloride (PubChem CID 146676030) has the molecular formula C13H25ClN2O and a molecular weight of 260.81 g/mol. Its IUPAC name is 2-[4-(aminomethyl)piperidin-1-yl]-1-cyclopentylethanone;hydrochloride.

Molecular Properties

Compound Name2-[4-(aminomethyl)piperidin-1-yl]-1-cyclopentylethanone;hydrochloride
PubChem CID146676030
Molecular FormulaC13H25ClN2O
Molecular Weight260.81 g/mol
Exact Mass260.17
IUPAC Name2-[4-(aminomethyl)piperidin-1-yl]-1-cyclopentylethanone;hydrochloride
SMILESCl.NCC1CCN(CC(=O)C2CCCC2)CC1
InChIInChI=1S/C13H24N2O.ClH/c14-9-11-5-7-15(8-6-11)10-13(16)12-3-1-2-4-12;/h11-12H,1-10,14H2;1H
InChIKeyVWJCJNSUZUOSAU-UHFFFAOYSA-N
XLogP1.84
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.81
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(aminomethyl)piperidin-1-yl]-1-(azepan-1-yl)ethanone;hydrochloride
CID 119909444
2-[4-(aminomethyl)piperidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone;hydrochloride
CID 119909747
1-cyclopentyl-2-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 103498957
1-cyclopropyl-2-(4-ethylpiperidin-1-yl)ethanone
CID 63913438
[4-(aminomethyl)piperidin-1-yl]-cyclobutylmethanone;hydrochloride
CID 53256357
1-cyclopentyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
CID 113448813
2-(4-tert-butylpiperazin-1-yl)-1-cyclopentylethanone
CID 113448723
2-(4-cyclopentylpiperazin-1-yl)-1-cyclopropylethanone
CID 63914774
[3-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119260304
1-cyclohexyl-2-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 104749970
1-cyclopentyl-2-(3,4-dimethylpyrrolidin-1-yl)ethanone
CID 104750922
1-cyclopentyl-2-(3-propan-2-ylpyrrolidin-1-yl)ethanone
CID 104751088

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)piperidin-1-yl]-1-cyclopentylethanone;hydrochloride?
The IUPAC name of 2-[4-(aminomethyl)piperidin-1-yl]-1-cyclopentylethanone;hydrochloride (CID 146676030) is 2-[4-(aminomethyl)piperidin-1-yl]-1-cyclopentylethanone;hydrochloride.
What is the SMILES notation for 2-[4-(aminomethyl)piperidin-1-yl]-1-cyclopentylethanone;hydrochloride?
The canonical SMILES for 2-[4-(aminomethyl)piperidin-1-yl]-1-cyclopentylethanone;hydrochloride is Cl.NCC1CCN(CC(=O)C2CCCC2)CC1.
What is the InChIKey of 2-[4-(aminomethyl)piperidin-1-yl]-1-cyclopentylethanone;hydrochloride?
The InChIKey is VWJCJNSUZUOSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O.ClH/c14-9-11-5-7-15(8-6-11)10-13(16)12-3-1-2-4-12;/h11-12H,1-10,14H2;1H.
What are the key properties of 2-[4-(aminomethyl)piperidin-1-yl]-1-cyclopentylethanone;hydrochloride?
2-[4-(aminomethyl)piperidin-1-yl]-1-cyclopentylethanone;hydrochloride has a molecular weight of 260.81 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)piperidin-1-yl]-1-cyclopentylethanone;hydrochloride is sourced from PubChem (CID 146676030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).