2-amino-3-methoxy-1-(3-methyl-3-phenylpiperidin-1-yl)propan-1-one;hydrochloride

C16H25ClN2O2 — CID 120989835

IUPAC2-amino-3-methoxy-1-(3-methyl-3-phenylpiperidin-1-yl)propan-1-one;hydrochloride
SMILESCOCC(N)C(=O)N1CCCC(C)(c2ccccc2)C1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-16(13-7-4-3-5-8-13)9-6-10-18(12-16)15(19)14(17)11-20-2;/h3-5,7-8,14H,6,9-12,17H2,1-2H3;1H
InChIKeyVHPBLQOJMSRHSX-UHFFFAOYSA-N
MW312.84 g/mol
LogP1.96
Rot. Bonds4

About 2-amino-3-methoxy-1-(3-methyl-3-phenylpiperidin-1-yl)propan-1-one;hydrochloride

2-amino-3-methoxy-1-(3-methyl-3-phenylpiperidin-1-yl)propan-1-one;hydrochloride (PubChem CID 120989835) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 2-amino-3-methoxy-1-(3-methyl-3-phenylpiperidin-1-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methoxy-1-(3-methyl-3-phenylpiperidin-1-yl)propan-1-one;hydrochloride
PubChem CID120989835
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name2-amino-3-methoxy-1-(3-methyl-3-phenylpiperidin-1-yl)propan-1-one;hydrochloride
SMILESCOCC(N)C(=O)N1CCCC(C)(c2ccccc2)C1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-16(13-7-4-3-5-8-13)9-6-10-18(12-16)15(19)14(17)11-20-2;/h3-5,7-8,14H,6,9-12,17H2,1-2H3;1H
InChIKeyVHPBLQOJMSRHSX-UHFFFAOYSA-N
XLogP1.96
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(3-methyl-3-phenylpiperidin-1-yl)-4-methylsulfonylbutan-1-one
CID 102560456
4-amino-3-methoxy-1-(3-methyl-3-phenylpiperidin-1-yl)butan-1-one;hydrochloride
CID 120592389
2-methyl-3-(methylamino)-1-(3-methyl-3-phenylpiperidin-1-yl)propan-1-one;hydrochloride
CID 119786972
2-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-3-methoxypropan-1-one;hydrochloride
CID 120991246
(2R)-1-methoxy-3-[(3S)-3-methyl-3-phenylpiperidin-1-yl]propan-2-ol
CID 99103988
[2-[(3S)-3-methyl-3-phenylpiperidin-1-yl]-2-oxoethyl]urea
CID 97141328
2-amino-1-(3,3-dimethylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119295543
(2S)-2-amino-1-(3,3-diphenylpiperidin-1-yl)propan-1-one;hydrochloride
CID 154900068
2-(cyclopropylmethylamino)-1-(3-methyl-3-phenylpiperidin-1-yl)ethanone
CID 119786969
2-amino-3-methoxy-1-(4-phenylpiperidin-1-yl)propan-1-one;hydrochloride
CID 120984914
7-amino-1-(3-methyl-3-phenylpiperidin-1-yl)heptan-1-one
CID 119786941
(2S)-2-amino-1-(3,3-dimethylpiperidin-1-yl)-4-phenylbutan-1-one
CID 104984439

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-1-(3-methyl-3-phenylpiperidin-1-yl)propan-1-one;hydrochloride?
The IUPAC name of 2-amino-3-methoxy-1-(3-methyl-3-phenylpiperidin-1-yl)propan-1-one;hydrochloride (CID 120989835) is 2-amino-3-methoxy-1-(3-methyl-3-phenylpiperidin-1-yl)propan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-3-methoxy-1-(3-methyl-3-phenylpiperidin-1-yl)propan-1-one;hydrochloride?
The canonical SMILES for 2-amino-3-methoxy-1-(3-methyl-3-phenylpiperidin-1-yl)propan-1-one;hydrochloride is COCC(N)C(=O)N1CCCC(C)(c2ccccc2)C1.Cl.
What is the InChIKey of 2-amino-3-methoxy-1-(3-methyl-3-phenylpiperidin-1-yl)propan-1-one;hydrochloride?
The InChIKey is VHPBLQOJMSRHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/c1-16(13-7-4-3-5-8-13)9-6-10-18(12-16)15(19)14(17)11-20-2;/h3-5,7-8,14H,6,9-12,17H2,1-2H3;1H.
What are the key properties of 2-amino-3-methoxy-1-(3-methyl-3-phenylpiperidin-1-yl)propan-1-one;hydrochloride?
2-amino-3-methoxy-1-(3-methyl-3-phenylpiperidin-1-yl)propan-1-one;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-1-(3-methyl-3-phenylpiperidin-1-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 120989835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).