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

C15H29ClN2O — CID 119595993

IUPAC[3-(1-aminoethyl)piperidin-1-yl]-cycloheptylmethanone;hydrochloride
SMILESCC(N)C1CCCN(C(=O)C2CCCCCC2)C1.Cl
InChIInChI=1S/C15H28N2O.ClH/c1-12(16)14-9-6-10-17(11-14)15(18)13-7-4-2-3-5-8-13;/h12-14H,2-11,16H2,1H3;1H
InChIKeyJKWCVAVRXPSKNS-UHFFFAOYSA-N
MW288.86 g/mol
LogP2.96
Rot. Bonds2

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

[3-(1-aminoethyl)piperidin-1-yl]-cycloheptylmethanone;hydrochloride (PubChem CID 119595993) has the molecular formula C15H29ClN2O and a molecular weight of 288.86 g/mol. Its IUPAC name is [3-(1-aminoethyl)piperidin-1-yl]-cycloheptylmethanone;hydrochloride.

Molecular Properties

Compound Name[3-(1-aminoethyl)piperidin-1-yl]-cycloheptylmethanone;hydrochloride
PubChem CID119595993
Molecular FormulaC15H29ClN2O
Molecular Weight288.86 g/mol
Exact Mass288.20
IUPAC Name[3-(1-aminoethyl)piperidin-1-yl]-cycloheptylmethanone;hydrochloride
SMILESCC(N)C1CCCN(C(=O)C2CCCCCC2)C1.Cl
InChIInChI=1S/C15H28N2O.ClH/c1-12(16)14-9-6-10-17(11-14)15(18)13-7-4-2-3-5-8-13;/h12-14H,2-11,16H2,1H3;1H
InChIKeyJKWCVAVRXPSKNS-UHFFFAOYSA-N
XLogP2.96
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.86
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(1-aminoethyl)piperidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119260950
[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]-cycloheptylmethanone;hydrochloride?
The IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-cycloheptylmethanone;hydrochloride (CID 119595993) is [3-(1-aminoethyl)piperidin-1-yl]-cycloheptylmethanone;hydrochloride.
What is the SMILES notation for [3-(1-aminoethyl)piperidin-1-yl]-cycloheptylmethanone;hydrochloride?
The canonical SMILES for [3-(1-aminoethyl)piperidin-1-yl]-cycloheptylmethanone;hydrochloride is CC(N)C1CCCN(C(=O)C2CCCCCC2)C1.Cl.
What is the InChIKey of [3-(1-aminoethyl)piperidin-1-yl]-cycloheptylmethanone;hydrochloride?
The InChIKey is JKWCVAVRXPSKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O.ClH/c1-12(16)14-9-6-10-17(11-14)15(18)13-7-4-2-3-5-8-13;/h12-14H,2-11,16H2,1H3;1H.
What are the key properties of [3-(1-aminoethyl)piperidin-1-yl]-cycloheptylmethanone;hydrochloride?
[3-(1-aminoethyl)piperidin-1-yl]-cycloheptylmethanone;hydrochloride has a molecular weight of 288.86 g/mol, XLogP of 2.96, 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]-cycloheptylmethanone;hydrochloride is sourced from PubChem (CID 119595993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).