2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(2,6-dimethylpiperidin-1-yl)ethanone;hydrochloride

C16H32ClN3O — CID 119926190

IUPAC2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(2,6-dimethylpiperidin-1-yl)ethanone;hydrochloride
SMILESCC1CCCN(CC(=O)N2C(C)CCCC2C)C1CN.Cl
InChIInChI=1S/C16H31N3O.ClH/c1-12-6-5-9-18(15(12)10-17)11-16(20)19-13(2)7-4-8-14(19)3;/h12-15H,4-11,17H2,1-3H3;1H
InChIKeyFXPQICVOFZMUDI-UHFFFAOYSA-N
MW317.91 g/mol
LogP2.26
Rot. Bonds3

About 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(2,6-dimethylpiperidin-1-yl)ethanone;hydrochloride

2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(2,6-dimethylpiperidin-1-yl)ethanone;hydrochloride (PubChem CID 119926190) has the molecular formula C16H32ClN3O and a molecular weight of 317.91 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(2,6-dimethylpiperidin-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(2,6-dimethylpiperidin-1-yl)ethanone;hydrochloride
PubChem CID119926190
Molecular FormulaC16H32ClN3O
Molecular Weight317.91 g/mol
Exact Mass317.22
IUPAC Name2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(2,6-dimethylpiperidin-1-yl)ethanone;hydrochloride
SMILESCC1CCCN(CC(=O)N2C(C)CCCC2C)C1CN.Cl
InChIInChI=1S/C16H31N3O.ClH/c1-12-6-5-9-18(15(12)10-17)11-16(20)19-13(2)7-4-8-14(19)3;/h12-15H,4-11,17H2,1-3H3;1H
InChIKeyFXPQICVOFZMUDI-UHFFFAOYSA-N
XLogP2.26
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.91
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(2,6-dimethylpiperidin-1-yl)ethanone;hydrochloride?
The IUPAC name of 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(2,6-dimethylpiperidin-1-yl)ethanone;hydrochloride (CID 119926190) is 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(2,6-dimethylpiperidin-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(2,6-dimethylpiperidin-1-yl)ethanone;hydrochloride?
The canonical SMILES for 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(2,6-dimethylpiperidin-1-yl)ethanone;hydrochloride is CC1CCCN(CC(=O)N2C(C)CCCC2C)C1CN.Cl.
What is the InChIKey of 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(2,6-dimethylpiperidin-1-yl)ethanone;hydrochloride?
The InChIKey is FXPQICVOFZMUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O.ClH/c1-12-6-5-9-18(15(12)10-17)11-16(20)19-13(2)7-4-8-14(19)3;/h12-15H,4-11,17H2,1-3H3;1H.
What are the key properties of 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(2,6-dimethylpiperidin-1-yl)ethanone;hydrochloride?
2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(2,6-dimethylpiperidin-1-yl)ethanone;hydrochloride has a molecular weight of 317.91 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(2,6-dimethylpiperidin-1-yl)ethanone;hydrochloride is sourced from PubChem (CID 119926190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).