1-[3-(methylaminomethyl)piperidin-1-yl]-3,4-diphenylbutan-1-one

C23H30N2O — CID 119396870

IUPAC1-[3-(methylaminomethyl)piperidin-1-yl]-3,4-diphenylbutan-1-one
SMILESCNCC1CCCN(C(=O)CC(Cc2ccccc2)c2ccccc2)C1
InChIInChI=1S/C23H30N2O/c1-24-17-20-11-8-14-25(18-20)23(26)16-22(21-12-6-3-7-13-21)15-19-9-4-2-5-10-19/h2-7,9-10,12-13,20,22,24H,8,11,14-18H2,1H3
InChIKeyDNOHFFZMXQWCGE-UHFFFAOYSA-N
MW350.51 g/mol
LogP3.86
Rot. Bonds7

About 1-[3-(methylaminomethyl)piperidin-1-yl]-3,4-diphenylbutan-1-one

1-[3-(methylaminomethyl)piperidin-1-yl]-3,4-diphenylbutan-1-one (PubChem CID 119396870) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is 1-[3-(methylaminomethyl)piperidin-1-yl]-3,4-diphenylbutan-1-one.

Molecular Properties

Compound Name1-[3-(methylaminomethyl)piperidin-1-yl]-3,4-diphenylbutan-1-one
PubChem CID119396870
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC Name1-[3-(methylaminomethyl)piperidin-1-yl]-3,4-diphenylbutan-1-one
SMILESCNCC1CCCN(C(=O)CC(Cc2ccccc2)c2ccccc2)C1
InChIInChI=1S/C23H30N2O/c1-24-17-20-11-8-14-25(18-20)23(26)16-22(21-12-6-3-7-13-21)15-19-9-4-2-5-10-19/h2-7,9-10,12-13,20,22,24H,8,11,14-18H2,1H3
InChIKeyDNOHFFZMXQWCGE-UHFFFAOYSA-N
XLogP3.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-(3,4-diphenylbutanoyl)piperidine-3-carboxylic acid
CID 119174340
1-[(3R)-3-aminopyrrolidin-1-yl]-3,4-diphenylbutan-1-one;hydrochloride
CID 119411312
1-[3-(methylaminomethyl)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride
CID 119397483
1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylmethoxyethanone
CID 119396607
1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylmethoxyethanone;hydrochloride
CID 119396606
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylethanone
CID 55168474
3-amino-2-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 122080186
4,4,4-trifluoro-1-[3-(methylaminomethyl)pyrrolidin-1-yl]-3-phenylbutan-1-one;hydrochloride
CID 119540328
2-[1-(3,4-diphenylbutanoyl)piperidin-4-yl]acetic acid
CID 119178891
2-(diethylamino)-1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylethanone
CID 119396244
N-methyl-1-[1-(4-phenylbut-1-en-2-yl)piperidin-3-yl]methanamine
CID 142176802
2-(3-hydroxyphenyl)-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone
CID 61399395

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylaminomethyl)piperidin-1-yl]-3,4-diphenylbutan-1-one?
The IUPAC name of 1-[3-(methylaminomethyl)piperidin-1-yl]-3,4-diphenylbutan-1-one (CID 119396870) is 1-[3-(methylaminomethyl)piperidin-1-yl]-3,4-diphenylbutan-1-one.
What is the SMILES notation for 1-[3-(methylaminomethyl)piperidin-1-yl]-3,4-diphenylbutan-1-one?
The canonical SMILES for 1-[3-(methylaminomethyl)piperidin-1-yl]-3,4-diphenylbutan-1-one is CNCC1CCCN(C(=O)CC(Cc2ccccc2)c2ccccc2)C1.
What is the InChIKey of 1-[3-(methylaminomethyl)piperidin-1-yl]-3,4-diphenylbutan-1-one?
The InChIKey is DNOHFFZMXQWCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O/c1-24-17-20-11-8-14-25(18-20)23(26)16-22(21-12-6-3-7-13-21)15-19-9-4-2-5-10-19/h2-7,9-10,12-13,20,22,24H,8,11,14-18H2,1H3.
What are the key properties of 1-[3-(methylaminomethyl)piperidin-1-yl]-3,4-diphenylbutan-1-one?
1-[3-(methylaminomethyl)piperidin-1-yl]-3,4-diphenylbutan-1-one has a molecular weight of 350.51 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylaminomethyl)piperidin-1-yl]-3,4-diphenylbutan-1-one is sourced from PubChem (CID 119396870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).