3-amino-1-(3-ethyl-3-methylpiperidin-1-yl)butan-1-one;hydrochloride

C12H25ClN2O — CID 119789084

IUPAC3-amino-1-(3-ethyl-3-methylpiperidin-1-yl)butan-1-one;hydrochloride
SMILESCCC1(C)CCCN(C(=O)CC(C)N)C1.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-4-12(3)6-5-7-14(9-12)11(15)8-10(2)13;/h10H,4-9,13H2,1-3H3;1H
InChIKeyDKDPRCZBFFSJHB-UHFFFAOYSA-N
MW248.80 g/mol
LogP2.18
Rot. Bonds3

About 3-amino-1-(3-ethyl-3-methylpiperidin-1-yl)butan-1-one;hydrochloride

3-amino-1-(3-ethyl-3-methylpiperidin-1-yl)butan-1-one;hydrochloride (PubChem CID 119789084) has the molecular formula C12H25ClN2O and a molecular weight of 248.80 g/mol. Its IUPAC name is 3-amino-1-(3-ethyl-3-methylpiperidin-1-yl)butan-1-one;hydrochloride.

Molecular Properties

Compound Name3-amino-1-(3-ethyl-3-methylpiperidin-1-yl)butan-1-one;hydrochloride
PubChem CID119789084
Molecular FormulaC12H25ClN2O
Molecular Weight248.80 g/mol
Exact Mass248.17
IUPAC Name3-amino-1-(3-ethyl-3-methylpiperidin-1-yl)butan-1-one;hydrochloride
SMILESCCC1(C)CCCN(C(=O)CC(C)N)C1.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-4-12(3)6-5-7-14(9-12)11(15)8-10(2)13;/h10H,4-9,13H2,1-3H3;1H
InChIKeyDKDPRCZBFFSJHB-UHFFFAOYSA-N
XLogP2.18
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.80
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-ethyl-3-methylpiperidin-1-yl)butan-1-one;hydrochloride?
The IUPAC name of 3-amino-1-(3-ethyl-3-methylpiperidin-1-yl)butan-1-one;hydrochloride (CID 119789084) is 3-amino-1-(3-ethyl-3-methylpiperidin-1-yl)butan-1-one;hydrochloride.
What is the SMILES notation for 3-amino-1-(3-ethyl-3-methylpiperidin-1-yl)butan-1-one;hydrochloride?
The canonical SMILES for 3-amino-1-(3-ethyl-3-methylpiperidin-1-yl)butan-1-one;hydrochloride is CCC1(C)CCCN(C(=O)CC(C)N)C1.Cl.
What is the InChIKey of 3-amino-1-(3-ethyl-3-methylpiperidin-1-yl)butan-1-one;hydrochloride?
The InChIKey is DKDPRCZBFFSJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O.ClH/c1-4-12(3)6-5-7-14(9-12)11(15)8-10(2)13;/h10H,4-9,13H2,1-3H3;1H.
What are the key properties of 3-amino-1-(3-ethyl-3-methylpiperidin-1-yl)butan-1-one;hydrochloride?
3-amino-1-(3-ethyl-3-methylpiperidin-1-yl)butan-1-one;hydrochloride has a molecular weight of 248.80 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-ethyl-3-methylpiperidin-1-yl)butan-1-one;hydrochloride is sourced from PubChem (CID 119789084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).