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

C16H24N2O2 — CID 103155063

IUPAC4-amino-3-methoxy-1-(4-phenylpiperidin-1-yl)butan-1-one
SMILESCOC(CN)CC(=O)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C16H24N2O2/c1-20-15(12-17)11-16(19)18-9-7-14(8-10-18)13-5-3-2-4-6-13/h2-6,14-15H,7-12,17H2,1H3
InChIKeyNQQBXKZQTLWRQQ-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.76
Rot. Bonds5

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

4-amino-3-methoxy-1-(4-phenylpiperidin-1-yl)butan-1-one (PubChem CID 103155063) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-amino-3-methoxy-1-(4-phenylpiperidin-1-yl)butan-1-one.

Molecular Properties

Compound Name4-amino-3-methoxy-1-(4-phenylpiperidin-1-yl)butan-1-one
PubChem CID103155063
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-amino-3-methoxy-1-(4-phenylpiperidin-1-yl)butan-1-one
SMILESCOC(CN)CC(=O)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C16H24N2O2/c1-20-15(12-17)11-16(19)18-9-7-14(8-10-18)13-5-3-2-4-6-13/h2-6,14-15H,7-12,17H2,1H3
InChIKeyNQQBXKZQTLWRQQ-UHFFFAOYSA-N
XLogP1.76
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-methoxy-N-(4-phenylcyclohexyl)butanamide;hydrochloride
CID 120588455
4-amino-3-methoxy-1-[4-(2-phenylethyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 120594946
2-methoxy-4-(3-phenylpyrrolidin-1-yl)butan-1-amine
CID 103152450
4-amino-1-(4-benzylsulfonylpiperazin-1-yl)-3-methoxybutan-1-one
CID 120587104
4-amino-3-methoxy-1-(4-methylazepan-1-yl)butan-1-one
CID 103155888
2-amino-3-methoxy-1-(4-phenylpiperidin-1-yl)propan-1-one;hydrochloride
CID 120984914
4-amino-3-methoxy-1-(3-methoxypyrrolidin-1-yl)butan-1-one
CID 103532964
4-amino-3-methoxy-1-(3-methyl-3-phenylpiperidin-1-yl)butan-1-one;hydrochloride
CID 120592389
2-methoxy-1-(3-phenylpyrrolidin-1-yl)propan-1-one
CID 112687859
4-amino-1-(4-cyclopentyloxypiperidin-1-yl)-3-methoxybutan-1-one;hydrochloride
CID 120591144
2-(aminomethyl)-1-(4-phenylpiperidin-1-yl)pentan-1-one
CID 65229548
4-amino-3-methoxy-N-(3-phenylcyclobutyl)butanamide;hydrochloride
CID 120591704

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-1-(4-phenylpiperidin-1-yl)butan-1-one?
The IUPAC name of 4-amino-3-methoxy-1-(4-phenylpiperidin-1-yl)butan-1-one (CID 103155063) is 4-amino-3-methoxy-1-(4-phenylpiperidin-1-yl)butan-1-one.
What is the SMILES notation for 4-amino-3-methoxy-1-(4-phenylpiperidin-1-yl)butan-1-one?
The canonical SMILES for 4-amino-3-methoxy-1-(4-phenylpiperidin-1-yl)butan-1-one is COC(CN)CC(=O)N1CCC(c2ccccc2)CC1.
What is the InChIKey of 4-amino-3-methoxy-1-(4-phenylpiperidin-1-yl)butan-1-one?
The InChIKey is NQQBXKZQTLWRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-20-15(12-17)11-16(19)18-9-7-14(8-10-18)13-5-3-2-4-6-13/h2-6,14-15H,7-12,17H2,1H3.
What are the key properties of 4-amino-3-methoxy-1-(4-phenylpiperidin-1-yl)butan-1-one?
4-amino-3-methoxy-1-(4-phenylpiperidin-1-yl)butan-1-one has a molecular weight of 276.38 g/mol, XLogP of 1.76, 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-(4-phenylpiperidin-1-yl)butan-1-one is sourced from PubChem (CID 103155063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).