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

C13H25ClN2O — CID 119260151

IUPAC[3-(aminomethyl)piperidin-1-yl]-cyclohexylmethanone;hydrochloride
SMILESCl.NCC1CCCN(C(=O)C2CCCCC2)C1
InChIInChI=1S/C13H24N2O.ClH/c14-9-11-5-4-8-15(10-11)13(16)12-6-2-1-3-7-12;/h11-12H,1-10,14H2;1H
InChIKeyLBSCNORQTYYHSR-UHFFFAOYSA-N
MW260.81 g/mol
LogP2.19
Rot. Bonds2

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

[3-(aminomethyl)piperidin-1-yl]-cyclohexylmethanone;hydrochloride (PubChem CID 119260151) has the molecular formula C13H25ClN2O and a molecular weight of 260.81 g/mol. Its IUPAC name is [3-(aminomethyl)piperidin-1-yl]-cyclohexylmethanone;hydrochloride.

Molecular Properties

Compound Name[3-(aminomethyl)piperidin-1-yl]-cyclohexylmethanone;hydrochloride
PubChem CID119260151
Molecular FormulaC13H25ClN2O
Molecular Weight260.81 g/mol
Exact Mass260.17
IUPAC Name[3-(aminomethyl)piperidin-1-yl]-cyclohexylmethanone;hydrochloride
SMILESCl.NCC1CCCN(C(=O)C2CCCCC2)C1
InChIInChI=1S/C13H24N2O.ClH/c14-9-11-5-4-8-15(10-11)13(16)12-6-2-1-3-7-12;/h11-12H,1-10,14H2;1H
InChIKeyLBSCNORQTYYHSR-UHFFFAOYSA-N
XLogP2.19
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.81
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(aminomethyl)piperidin-1-yl]-cyclooctylmethanone
CID 65019049
[3-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119260304
[3-(aminomethyl)azepan-1-yl]-cyclopropylmethanone
CID 130577977
[3-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone
CID 62067909
[3-(aminomethyl)piperidin-1-yl]-(oxan-3-yl)methanone;hydrochloride
CID 119464992
[3-(aminomethyl)piperidin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride
CID 166595296
[3-(aminomethyl)piperidin-1-yl]-(oxan-3-yl)methanone
CID 62759775
[3-(2-aminoethyl)piperidin-1-yl]-cyclobutylmethanone
CID 63766706
2-[1-(cycloheptanecarbonyl)piperidin-3-yl]acetic acid
CID 62691115
cyclooctyl-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119398426
[4-(aminomethyl)cyclohexyl]-(3-ethylpiperidin-1-yl)methanone
CID 62806234
3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-cyclopentylpiperidine-1-carboxamide
CID 119483653

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)piperidin-1-yl]-cyclohexylmethanone;hydrochloride?
The IUPAC name of [3-(aminomethyl)piperidin-1-yl]-cyclohexylmethanone;hydrochloride (CID 119260151) is [3-(aminomethyl)piperidin-1-yl]-cyclohexylmethanone;hydrochloride.
What is the SMILES notation for [3-(aminomethyl)piperidin-1-yl]-cyclohexylmethanone;hydrochloride?
The canonical SMILES for [3-(aminomethyl)piperidin-1-yl]-cyclohexylmethanone;hydrochloride is Cl.NCC1CCCN(C(=O)C2CCCCC2)C1.
What is the InChIKey of [3-(aminomethyl)piperidin-1-yl]-cyclohexylmethanone;hydrochloride?
The InChIKey is LBSCNORQTYYHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O.ClH/c14-9-11-5-4-8-15(10-11)13(16)12-6-2-1-3-7-12;/h11-12H,1-10,14H2;1H.
What are the key properties of [3-(aminomethyl)piperidin-1-yl]-cyclohexylmethanone;hydrochloride?
[3-(aminomethyl)piperidin-1-yl]-cyclohexylmethanone;hydrochloride has a molecular weight of 260.81 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)piperidin-1-yl]-cyclohexylmethanone;hydrochloride is sourced from PubChem (CID 119260151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).