1-[4-(aminomethyl)piperidin-1-yl]-3-benzyl-4-phenylbutan-1-one

C23H30N2O — CID 119423610

IUPAC1-[4-(aminomethyl)piperidin-1-yl]-3-benzyl-4-phenylbutan-1-one
SMILESNCC1CCN(C(=O)CC(Cc2ccccc2)Cc2ccccc2)CC1
InChIInChI=1S/C23H30N2O/c24-18-21-11-13-25(14-12-21)23(26)17-22(15-19-7-3-1-4-8-19)16-20-9-5-2-6-10-20/h1-10,21-22H,11-18,24H2
InChIKeyIMKUMVRICJAUIZ-UHFFFAOYSA-N
MW350.51 g/mol
LogP3.68
Rot. Bonds7

About 1-[4-(aminomethyl)piperidin-1-yl]-3-benzyl-4-phenylbutan-1-one

1-[4-(aminomethyl)piperidin-1-yl]-3-benzyl-4-phenylbutan-1-one (PubChem CID 119423610) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is 1-[4-(aminomethyl)piperidin-1-yl]-3-benzyl-4-phenylbutan-1-one.

Molecular Properties

Compound Name1-[4-(aminomethyl)piperidin-1-yl]-3-benzyl-4-phenylbutan-1-one
PubChem CID119423610
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC Name1-[4-(aminomethyl)piperidin-1-yl]-3-benzyl-4-phenylbutan-1-one
SMILESNCC1CCN(C(=O)CC(Cc2ccccc2)Cc2ccccc2)CC1
InChIInChI=1S/C23H30N2O/c24-18-21-11-13-25(14-12-21)23(26)17-22(15-19-7-3-1-4-8-19)16-20-9-5-2-6-10-20/h1-10,21-22H,11-18,24H2
InChIKeyIMKUMVRICJAUIZ-UHFFFAOYSA-N
XLogP3.68
TPSA46.33 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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzyl-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-phenylbutan-1-one
CID 111970521
2-[1-(3,4-diphenylbutanoyl)piperidin-4-yl]acetic acid
CID 119178891
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-benzyl-3-methylbutan-1-one
CID 119484206
1-[3-(1-aminoethyl)piperidin-1-yl]-3-benzyl-4-phenylbutan-1-one;hydrochloride
CID 119595280
1-[4-(aminomethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 28706724
(2S)-2-amino-N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylpropanamide
CID 119307382
(4S)-4-amino-1-(4-benzylpiperidin-1-yl)-5-phenylpentan-1-one
CID 58723486
3-amino-3-phenyl-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one
CID 119949251
1-(4-aminopiperidin-1-yl)-3,3-diphenylpropan-1-one
CID 28804060
2-[1-(3-phenyl-2-sulfanylpropanoyl)piperidin-4-yl]acetamide
CID 107026191
1-[(3R)-3-aminopyrrolidin-1-yl]-3,4-diphenylbutan-1-one;hydrochloride
CID 119411312
(2R)-2-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 78985406

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)piperidin-1-yl]-3-benzyl-4-phenylbutan-1-one?
The IUPAC name of 1-[4-(aminomethyl)piperidin-1-yl]-3-benzyl-4-phenylbutan-1-one (CID 119423610) is 1-[4-(aminomethyl)piperidin-1-yl]-3-benzyl-4-phenylbutan-1-one.
What is the SMILES notation for 1-[4-(aminomethyl)piperidin-1-yl]-3-benzyl-4-phenylbutan-1-one?
The canonical SMILES for 1-[4-(aminomethyl)piperidin-1-yl]-3-benzyl-4-phenylbutan-1-one is NCC1CCN(C(=O)CC(Cc2ccccc2)Cc2ccccc2)CC1.
What is the InChIKey of 1-[4-(aminomethyl)piperidin-1-yl]-3-benzyl-4-phenylbutan-1-one?
The InChIKey is IMKUMVRICJAUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O/c24-18-21-11-13-25(14-12-21)23(26)17-22(15-19-7-3-1-4-8-19)16-20-9-5-2-6-10-20/h1-10,21-22H,11-18,24H2.
What are the key properties of 1-[4-(aminomethyl)piperidin-1-yl]-3-benzyl-4-phenylbutan-1-one?
1-[4-(aminomethyl)piperidin-1-yl]-3-benzyl-4-phenylbutan-1-one has a molecular weight of 350.51 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)piperidin-1-yl]-3-benzyl-4-phenylbutan-1-one is sourced from PubChem (CID 119423610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).