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

C15H29ClN2O — CID 119423614

IUPAC1-[4-(aminomethyl)piperidin-1-yl]-2-cycloheptylethanone;hydrochloride
SMILESCl.NCC1CCN(C(=O)CC2CCCCCC2)CC1
InChIInChI=1S/C15H28N2O.ClH/c16-12-14-7-9-17(10-8-14)15(18)11-13-5-3-1-2-4-6-13;/h13-14H,1-12,16H2;1H
InChIKeyJJXABJZHZLLMME-UHFFFAOYSA-N
MW288.86 g/mol
LogP2.97
Rot. Bonds3

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

1-[4-(aminomethyl)piperidin-1-yl]-2-cycloheptylethanone;hydrochloride (PubChem CID 119423614) has the molecular formula C15H29ClN2O and a molecular weight of 288.86 g/mol. Its IUPAC name is 1-[4-(aminomethyl)piperidin-1-yl]-2-cycloheptylethanone;hydrochloride.

Molecular Properties

Compound Name1-[4-(aminomethyl)piperidin-1-yl]-2-cycloheptylethanone;hydrochloride
PubChem CID119423614
Molecular FormulaC15H29ClN2O
Molecular Weight288.86 g/mol
Exact Mass288.20
IUPAC Name1-[4-(aminomethyl)piperidin-1-yl]-2-cycloheptylethanone;hydrochloride
SMILESCl.NCC1CCN(C(=O)CC2CCCCCC2)CC1
InChIInChI=1S/C15H28N2O.ClH/c16-12-14-7-9-17(10-8-14)15(18)11-13-5-3-1-2-4-6-13;/h13-14H,1-12,16H2;1H
InChIKeyJJXABJZHZLLMME-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(aminomethyl)pyrrolidin-1-yl]-2-cyclohexylethanone;hydrochloride
CID 119260296
1-[4-(2-aminoacetyl)piperazin-1-yl]-2-cyclohexylethanone
CID 119313911
1-[4-(aminomethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone
CID 175660425
1-[4-(aminomethyl)piperidin-1-yl]-2-hydroxyethanone
CID 68628787
1-(2-cyclohexylacetyl)piperidine-4-carboxylic acid
CID 43183394
3-[1-(2-cyclohexylacetyl)piperidin-4-yl]propanoic acid
CID 62217126
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-cyclohexylethanone
CID 134029886
1-(azepan-1-yl)-2-[1-(cyclohexanecarbonyl)piperidin-4-yl]ethanone
CID 46295186
2-cyclohexyl-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 155469719
2-(4-aminocyclohexyl)-1-piperidin-1-ylethanone;hydrochloride
CID 165412274
2-[4-(aminomethyl)piperidin-1-yl]-1-(azepan-1-yl)ethanone;hydrochloride
CID 119909444
2-cyclopentyl-1-[4-(methoxymethyl)piperidin-1-yl]ethanone
CID 121091445

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)piperidin-1-yl]-2-cycloheptylethanone;hydrochloride?
The IUPAC name of 1-[4-(aminomethyl)piperidin-1-yl]-2-cycloheptylethanone;hydrochloride (CID 119423614) is 1-[4-(aminomethyl)piperidin-1-yl]-2-cycloheptylethanone;hydrochloride.
What is the SMILES notation for 1-[4-(aminomethyl)piperidin-1-yl]-2-cycloheptylethanone;hydrochloride?
The canonical SMILES for 1-[4-(aminomethyl)piperidin-1-yl]-2-cycloheptylethanone;hydrochloride is Cl.NCC1CCN(C(=O)CC2CCCCCC2)CC1.
What is the InChIKey of 1-[4-(aminomethyl)piperidin-1-yl]-2-cycloheptylethanone;hydrochloride?
The InChIKey is JJXABJZHZLLMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O.ClH/c16-12-14-7-9-17(10-8-14)15(18)11-13-5-3-1-2-4-6-13;/h13-14H,1-12,16H2;1H.
What are the key properties of 1-[4-(aminomethyl)piperidin-1-yl]-2-cycloheptylethanone;hydrochloride?
1-[4-(aminomethyl)piperidin-1-yl]-2-cycloheptylethanone;hydrochloride has a molecular weight of 288.86 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)piperidin-1-yl]-2-cycloheptylethanone;hydrochloride is sourced from PubChem (CID 119423614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).