4-amino-3-methoxy-1-(3-methyl-3-phenylpiperidin-1-yl)butan-1-one;hydrochloride

C17H27ClN2O2 — CID 120592389

IUPAC4-amino-3-methoxy-1-(3-methyl-3-phenylpiperidin-1-yl)butan-1-one;hydrochloride
SMILESCOC(CN)CC(=O)N1CCCC(C)(c2ccccc2)C1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-17(14-7-4-3-5-8-14)9-6-10-19(13-17)16(20)11-15(12-18)21-2;/h3-5,7-8,15H,6,9-13,18H2,1-2H3;1H
InChIKeyOHXSZWUICWWNQX-UHFFFAOYSA-N
MW326.87 g/mol
LogP2.35
Rot. Bonds5

About 4-amino-3-methoxy-1-(3-methyl-3-phenylpiperidin-1-yl)butan-1-one;hydrochloride

4-amino-3-methoxy-1-(3-methyl-3-phenylpiperidin-1-yl)butan-1-one;hydrochloride (PubChem CID 120592389) has the molecular formula C17H27ClN2O2 and a molecular weight of 326.87 g/mol. Its IUPAC name is 4-amino-3-methoxy-1-(3-methyl-3-phenylpiperidin-1-yl)butan-1-one;hydrochloride.

Molecular Properties

Compound Name4-amino-3-methoxy-1-(3-methyl-3-phenylpiperidin-1-yl)butan-1-one;hydrochloride
PubChem CID120592389
Molecular FormulaC17H27ClN2O2
Molecular Weight326.87 g/mol
Exact Mass326.18
IUPAC Name4-amino-3-methoxy-1-(3-methyl-3-phenylpiperidin-1-yl)butan-1-one;hydrochloride
SMILESCOC(CN)CC(=O)N1CCCC(C)(c2ccccc2)C1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-17(14-7-4-3-5-8-14)9-6-10-19(13-17)16(20)11-15(12-18)21-2;/h3-5,7-8,15H,6,9-13,18H2,1-2H3;1H
InChIKeyOHXSZWUICWWNQX-UHFFFAOYSA-N
XLogP2.35
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-methoxy-1-(3-methyl-3-phenylpiperidin-1-yl)propan-1-one;hydrochloride
CID 120989835
[2-[(3S)-3-methyl-3-phenylpiperidin-1-yl]-2-oxoethyl]urea
CID 97141328
7-amino-1-(3-methyl-3-phenylpiperidin-1-yl)heptan-1-one
CID 119786941
2-(cyclopropylmethylamino)-1-(3-methyl-3-phenylpiperidin-1-yl)ethanone
CID 119786969
4-amino-1-(1-benzyl-1,4-diazaspiro[5.5]undecan-4-yl)-3-methoxybutan-1-one;dihydrochloride
CID 120597300
4-amino-3-methoxy-1-(4-phenylpiperidin-1-yl)butan-1-one
CID 103155063
4-amino-3-methoxy-1-[4-(2-phenylethyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 120594946
2-methyl-3-(methylamino)-1-(3-methyl-3-phenylpiperidin-1-yl)propan-1-one;hydrochloride
CID 119786972
2-amino-1-(3-methyl-3-phenylpiperidin-1-yl)-4-methylsulfonylbutan-1-one
CID 102560456
4-amino-1-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-3-methoxybutan-1-one;hydrochloride
CID 120590126
5-methyl-1-[2-(3-methyl-3-phenylpiperidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione
CID 72875718
1-[3-(3-methyl-3-phenylpiperidin-1-yl)-3-oxopropyl]pyrimidine-2,4-dione
CID 72871274

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-1-(3-methyl-3-phenylpiperidin-1-yl)butan-1-one;hydrochloride?
The IUPAC name of 4-amino-3-methoxy-1-(3-methyl-3-phenylpiperidin-1-yl)butan-1-one;hydrochloride (CID 120592389) is 4-amino-3-methoxy-1-(3-methyl-3-phenylpiperidin-1-yl)butan-1-one;hydrochloride.
What is the SMILES notation for 4-amino-3-methoxy-1-(3-methyl-3-phenylpiperidin-1-yl)butan-1-one;hydrochloride?
The canonical SMILES for 4-amino-3-methoxy-1-(3-methyl-3-phenylpiperidin-1-yl)butan-1-one;hydrochloride is COC(CN)CC(=O)N1CCCC(C)(c2ccccc2)C1.Cl.
What is the InChIKey of 4-amino-3-methoxy-1-(3-methyl-3-phenylpiperidin-1-yl)butan-1-one;hydrochloride?
The InChIKey is OHXSZWUICWWNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2.ClH/c1-17(14-7-4-3-5-8-14)9-6-10-19(13-17)16(20)11-15(12-18)21-2;/h3-5,7-8,15H,6,9-13,18H2,1-2H3;1H.
What are the key properties of 4-amino-3-methoxy-1-(3-methyl-3-phenylpiperidin-1-yl)butan-1-one;hydrochloride?
4-amino-3-methoxy-1-(3-methyl-3-phenylpiperidin-1-yl)butan-1-one;hydrochloride has a molecular weight of 326.87 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-1-(3-methyl-3-phenylpiperidin-1-yl)butan-1-one;hydrochloride is sourced from PubChem (CID 120592389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).