[3-(1-aminoethyl)piperidin-1-yl]-cyclohexylmethanone;hydrochloride

C14H27ClN2O — CID 119260950

IUPAC[3-(1-aminoethyl)piperidin-1-yl]-cyclohexylmethanone;hydrochloride
SMILESCC(N)C1CCCN(C(=O)C2CCCCC2)C1.Cl
InChIInChI=1S/C14H26N2O.ClH/c1-11(15)13-8-5-9-16(10-13)14(17)12-6-3-2-4-7-12;/h11-13H,2-10,15H2,1H3;1H
InChIKeyFWXXDHBEWZMYHN-UHFFFAOYSA-N
MW274.84 g/mol
LogP2.57
Rot. Bonds2

About [3-(1-aminoethyl)piperidin-1-yl]-cyclohexylmethanone;hydrochloride

[3-(1-aminoethyl)piperidin-1-yl]-cyclohexylmethanone;hydrochloride (PubChem CID 119260950) has the molecular formula C14H27ClN2O and a molecular weight of 274.84 g/mol. Its IUPAC name is [3-(1-aminoethyl)piperidin-1-yl]-cyclohexylmethanone;hydrochloride.

Molecular Properties

Compound Name[3-(1-aminoethyl)piperidin-1-yl]-cyclohexylmethanone;hydrochloride
PubChem CID119260950
Molecular FormulaC14H27ClN2O
Molecular Weight274.84 g/mol
Exact Mass274.18
IUPAC Name[3-(1-aminoethyl)piperidin-1-yl]-cyclohexylmethanone;hydrochloride
SMILESCC(N)C1CCCN(C(=O)C2CCCCC2)C1.Cl
InChIInChI=1S/C14H26N2O.ClH/c1-11(15)13-8-5-9-16(10-13)14(17)12-6-3-2-4-7-12;/h11-13H,2-10,15H2,1H3;1H
InChIKeyFWXXDHBEWZMYHN-UHFFFAOYSA-N
XLogP2.57
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.84
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(1-aminoethyl)piperidin-1-yl]-cycloheptylmethanone;hydrochloride
CID 119595993
[3-(1-aminoethyl)pyrrolidin-1-yl]-cyclooctylmethanone
CID 112630786
3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-cyclopentylpiperidine-1-carboxamide
CID 119593119
[2-[3-(1-aminoethyl)piperidine-1-carbonyl]cyclohexyl]-pyrrolidin-1-ylmethanone
CID 119594689
[3-(1-aminoethyl)piperidin-1-yl]-(7-bicyclo[4.1.0]heptanyl)methanone;hydrochloride
CID 119594774
3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride
CID 119594752
[3-(1-aminoethyl)pyrrolidin-1-yl]-cyclopropylmethanone
CID 112630526
[3-(1-aminoethyl)piperidin-1-yl]-(2-cyclohexylcyclopropyl)methanone
CID 119593107
[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[(2R)-1-methylsulfonylpiperidin-2-yl]methanone
CID 125146980
[3-(1-aminoethyl)piperidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride
CID 119595332
[3-(1-aminoethyl)piperidin-1-yl]-(1-butylsulfonylpiperidin-4-yl)methanone;hydrochloride
CID 119594012
1-[3-(1-aminoethyl)piperidin-1-yl]-2-cyclopropylpropan-1-one;hydrochloride
CID 119594099

Frequently Asked Questions

What is the IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-cyclohexylmethanone;hydrochloride?
The IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-cyclohexylmethanone;hydrochloride (CID 119260950) is [3-(1-aminoethyl)piperidin-1-yl]-cyclohexylmethanone;hydrochloride.
What is the SMILES notation for [3-(1-aminoethyl)piperidin-1-yl]-cyclohexylmethanone;hydrochloride?
The canonical SMILES for [3-(1-aminoethyl)piperidin-1-yl]-cyclohexylmethanone;hydrochloride is CC(N)C1CCCN(C(=O)C2CCCCC2)C1.Cl.
What is the InChIKey of [3-(1-aminoethyl)piperidin-1-yl]-cyclohexylmethanone;hydrochloride?
The InChIKey is FWXXDHBEWZMYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O.ClH/c1-11(15)13-8-5-9-16(10-13)14(17)12-6-3-2-4-7-12;/h11-13H,2-10,15H2,1H3;1H.
What are the key properties of [3-(1-aminoethyl)piperidin-1-yl]-cyclohexylmethanone;hydrochloride?
[3-(1-aminoethyl)piperidin-1-yl]-cyclohexylmethanone;hydrochloride has a molecular weight of 274.84 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-aminoethyl)piperidin-1-yl]-cyclohexylmethanone;hydrochloride is sourced from PubChem (CID 119260950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).