1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3-methylcyclohexyl)oxybutan-1-one;hydrochloride

C18H35ClN2O2 — CID 120819001

IUPAC1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3-methylcyclohexyl)oxybutan-1-one;hydrochloride
SMILESCCC(OC1CCCC(C)C1)C(=O)N1CCC(N)C(C)(C)C1.Cl
InChIInChI=1S/C18H34N2O2.ClH/c1-5-15(22-14-8-6-7-13(2)11-14)17(21)20-10-9-16(19)18(3,4)12-20;/h13-16H,5-12,19H2,1-4H3;1H
InChIKeyWUCCTSOYVHQWAO-UHFFFAOYSA-N
MW346.94 g/mol
LogP3.37
Rot. Bonds4

About 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3-methylcyclohexyl)oxybutan-1-one;hydrochloride

1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3-methylcyclohexyl)oxybutan-1-one;hydrochloride (PubChem CID 120819001) has the molecular formula C18H35ClN2O2 and a molecular weight of 346.94 g/mol. Its IUPAC name is 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3-methylcyclohexyl)oxybutan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3-methylcyclohexyl)oxybutan-1-one;hydrochloride
PubChem CID120819001
Molecular FormulaC18H35ClN2O2
Molecular Weight346.94 g/mol
Exact Mass346.24
IUPAC Name1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3-methylcyclohexyl)oxybutan-1-one;hydrochloride
SMILESCCC(OC1CCCC(C)C1)C(=O)N1CCC(N)C(C)(C)C1.Cl
InChIInChI=1S/C18H34N2O2.ClH/c1-5-15(22-14-8-6-7-13(2)11-14)17(21)20-10-9-16(19)18(3,4)12-20;/h13-16H,5-12,19H2,1-4H3;1H
InChIKeyWUCCTSOYVHQWAO-UHFFFAOYSA-N
XLogP3.37
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.94
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3-methylcyclohexyl)oxybutan-1-one;hydrochloride?
The IUPAC name of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3-methylcyclohexyl)oxybutan-1-one;hydrochloride (CID 120819001) is 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3-methylcyclohexyl)oxybutan-1-one;hydrochloride.
What is the SMILES notation for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3-methylcyclohexyl)oxybutan-1-one;hydrochloride?
The canonical SMILES for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3-methylcyclohexyl)oxybutan-1-one;hydrochloride is CCC(OC1CCCC(C)C1)C(=O)N1CCC(N)C(C)(C)C1.Cl.
What is the InChIKey of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3-methylcyclohexyl)oxybutan-1-one;hydrochloride?
The InChIKey is WUCCTSOYVHQWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2.ClH/c1-5-15(22-14-8-6-7-13(2)11-14)17(21)20-10-9-16(19)18(3,4)12-20;/h13-16H,5-12,19H2,1-4H3;1H.
What are the key properties of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3-methylcyclohexyl)oxybutan-1-one;hydrochloride?
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3-methylcyclohexyl)oxybutan-1-one;hydrochloride has a molecular weight of 346.94 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3-methylcyclohexyl)oxybutan-1-one;hydrochloride is sourced from PubChem (CID 120819001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).