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

C11H21ClN2O — CID 53256357

IUPAC[4-(aminomethyl)piperidin-1-yl]-cyclobutylmethanone;hydrochloride
SMILESCl.NCC1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C11H20N2O.ClH/c12-8-9-4-6-13(7-5-9)11(14)10-2-1-3-10;/h9-10H,1-8,12H2;1H
InChIKeyOFLGEMHNHQGTTC-UHFFFAOYSA-N
MW232.75 g/mol
LogP1.41
Rot. Bonds2

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

[4-(aminomethyl)piperidin-1-yl]-cyclobutylmethanone;hydrochloride (PubChem CID 53256357) has the molecular formula C11H21ClN2O and a molecular weight of 232.75 g/mol. Its IUPAC name is [4-(aminomethyl)piperidin-1-yl]-cyclobutylmethanone;hydrochloride.

Molecular Properties

Compound Name[4-(aminomethyl)piperidin-1-yl]-cyclobutylmethanone;hydrochloride
PubChem CID53256357
Molecular FormulaC11H21ClN2O
Molecular Weight232.75 g/mol
Exact Mass232.13
IUPAC Name[4-(aminomethyl)piperidin-1-yl]-cyclobutylmethanone;hydrochloride
SMILESCl.NCC1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C11H20N2O.ClH/c12-8-9-4-6-13(7-5-9)11(14)10-2-1-3-10;/h9-10H,1-8,12H2;1H
InChIKeyOFLGEMHNHQGTTC-UHFFFAOYSA-N
XLogP1.41
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.75
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119260304
[4-(aminomethyl)piperidin-1-yl]-(4-methylcyclohexyl)methanone
CID 81468169
[3-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone
CID 62067909
[4-(aminomethyl)cyclohexyl]-(4-ethylpiperidin-1-yl)methanone
CID 62807473
(4-aminopiperidin-1-yl)-cyclobutylmethanone
CID 16777962
[4-(aminomethyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone
CID 55115030
1-[3-[4-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride
CID 119423719
[3-(aminomethyl)piperidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119260151
2-amino-1-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethanone
CID 68733933
[4-(aminomethyl)piperidin-1-yl]-(thiolan-2-yl)methanone;hydrochloride
CID 119423169
[3-(aminomethyl)piperidin-1-yl]-cyclooctylmethanone
CID 65019049
cyclopropyl-[4-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 121200495

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)piperidin-1-yl]-cyclobutylmethanone;hydrochloride?
The IUPAC name of [4-(aminomethyl)piperidin-1-yl]-cyclobutylmethanone;hydrochloride (CID 53256357) is [4-(aminomethyl)piperidin-1-yl]-cyclobutylmethanone;hydrochloride.
What is the SMILES notation for [4-(aminomethyl)piperidin-1-yl]-cyclobutylmethanone;hydrochloride?
The canonical SMILES for [4-(aminomethyl)piperidin-1-yl]-cyclobutylmethanone;hydrochloride is Cl.NCC1CCN(C(=O)C2CCC2)CC1.
What is the InChIKey of [4-(aminomethyl)piperidin-1-yl]-cyclobutylmethanone;hydrochloride?
The InChIKey is OFLGEMHNHQGTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O.ClH/c12-8-9-4-6-13(7-5-9)11(14)10-2-1-3-10;/h9-10H,1-8,12H2;1H.
What are the key properties of [4-(aminomethyl)piperidin-1-yl]-cyclobutylmethanone;hydrochloride?
[4-(aminomethyl)piperidin-1-yl]-cyclobutylmethanone;hydrochloride has a molecular weight of 232.75 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)piperidin-1-yl]-cyclobutylmethanone;hydrochloride is sourced from PubChem (CID 53256357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).