3-(aminomethyl)piperidin-2-one;hydrochloride

C6H13ClN2O — CID 50988718

IUPAC3-(aminomethyl)piperidin-2-one;hydrochloride
SMILESCl.NCC1CCCNC1=O
InChIInChI=1S/C6H12N2O.ClH/c7-4-5-2-1-3-8-6(5)9;/h5H,1-4,7H2,(H,8,9);1H
InChIKeyZJAXEKDEMGDBAF-UHFFFAOYSA-N
MW164.64 g/mol
LogP-0.11
Rot. Bonds1

About 3-(aminomethyl)piperidin-2-one;hydrochloride

3-(aminomethyl)piperidin-2-one;hydrochloride (PubChem CID 50988718) has the molecular formula C6H13ClN2O and a molecular weight of 164.64 g/mol. Its IUPAC name is 3-(aminomethyl)piperidin-2-one;hydrochloride.

Molecular Properties

Compound Name3-(aminomethyl)piperidin-2-one;hydrochloride
PubChem CID50988718
Molecular FormulaC6H13ClN2O
Molecular Weight164.64 g/mol
Exact Mass164.07
IUPAC Name3-(aminomethyl)piperidin-2-one;hydrochloride
SMILESCl.NCC1CCCNC1=O
InChIInChI=1S/C6H12N2O.ClH/c7-4-5-2-1-3-8-6(5)9;/h5H,1-4,7H2,(H,8,9);1H
InChIKeyZJAXEKDEMGDBAF-UHFFFAOYSA-N
XLogP-0.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.64
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)piperidin-2-one;hydrochloride?
The IUPAC name of 3-(aminomethyl)piperidin-2-one;hydrochloride (CID 50988718) is 3-(aminomethyl)piperidin-2-one;hydrochloride.
What is the SMILES notation for 3-(aminomethyl)piperidin-2-one;hydrochloride?
The canonical SMILES for 3-(aminomethyl)piperidin-2-one;hydrochloride is Cl.NCC1CCCNC1=O.
What is the InChIKey of 3-(aminomethyl)piperidin-2-one;hydrochloride?
The InChIKey is ZJAXEKDEMGDBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O.ClH/c7-4-5-2-1-3-8-6(5)9;/h5H,1-4,7H2,(H,8,9);1H.
What are the key properties of 3-(aminomethyl)piperidin-2-one;hydrochloride?
3-(aminomethyl)piperidin-2-one;hydrochloride has a molecular weight of 164.64 g/mol, XLogP of -0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)piperidin-2-one;hydrochloride is sourced from PubChem (CID 50988718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).