[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-benzylphenyl)methanone

C26H28N2O — CID 139986726

IUPAC[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-benzylphenyl)methanone
SMILESNCc1cccc(C2CCN(C(=O)c3cccc(Cc4ccccc4)c3)CC2)c1
InChIInChI=1S/C26H28N2O/c27-19-22-9-5-10-24(18-22)23-12-14-28(15-13-23)26(29)25-11-4-8-21(17-25)16-20-6-2-1-3-7-20/h1-11,17-18,23H,12-16,19,27H2
InChIKeyLPESFQPAAXSJLG-UHFFFAOYSA-N
MW384.52 g/mol
LogP4.76
Rot. Bonds5

About [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-benzylphenyl)methanone

[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-benzylphenyl)methanone (PubChem CID 139986726) has the molecular formula C26H28N2O and a molecular weight of 384.52 g/mol. Its IUPAC name is [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-benzylphenyl)methanone.

Molecular Properties

Compound Name[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-benzylphenyl)methanone
PubChem CID139986726
Molecular FormulaC26H28N2O
Molecular Weight384.52 g/mol
Exact Mass384.22
IUPAC Name[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-benzylphenyl)methanone
SMILESNCc1cccc(C2CCN(C(=O)c3cccc(Cc4ccccc4)c3)CC2)c1
InChIInChI=1S/C26H28N2O/c27-19-22-9-5-10-24(18-22)23-12-14-28(15-13-23)26(29)25-11-4-8-21(17-25)16-20-6-2-1-3-7-20/h1-11,17-18,23H,12-16,19,27H2
InChIKeyLPESFQPAAXSJLG-UHFFFAOYSA-N
XLogP4.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 23587339
2-[3-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]phenyl]-1-(4-hydroxyphenyl)ethanone
CID 22266044
4-[3-(aminomethyl)phenyl]piperidine-1-carboxylic acid
CID 22266122
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 23587358
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[3-[2-(2-methylphenyl)ethynyl]phenyl]methanone
CID 22266034
(3-ethylphenyl)-(4-phenylpiperidin-1-yl)methanone
CID 90124178
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[3-(pyridin-2-ylmethylamino)phenyl]methanone
CID 22266022
[7-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]naphthalen-1-yl]boronic acid
CID 90206946
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2-ethylphenyl)methanone
CID 22265908
4-[3-(aminomethyl)phenyl]-N-phenylpiperidine-1-carboxamide
CID 141045958
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[3-[2-(2-fluorophenyl)ethynyl]phenyl]methanone;2,2,2-trifluoroacetic acid
CID 10143021
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-hydroxynaphthalen-2-yl)methanone
CID 23587338

Frequently Asked Questions

What is the IUPAC name of [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-benzylphenyl)methanone?
The IUPAC name of [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-benzylphenyl)methanone (CID 139986726) is [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-benzylphenyl)methanone.
What is the SMILES notation for [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-benzylphenyl)methanone?
The canonical SMILES for [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-benzylphenyl)methanone is NCc1cccc(C2CCN(C(=O)c3cccc(Cc4ccccc4)c3)CC2)c1.
What is the InChIKey of [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-benzylphenyl)methanone?
The InChIKey is LPESFQPAAXSJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O/c27-19-22-9-5-10-24(18-22)23-12-14-28(15-13-23)26(29)25-11-4-8-21(17-25)16-20-6-2-1-3-7-20/h1-11,17-18,23H,12-16,19,27H2.
What are the key properties of [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-benzylphenyl)methanone?
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-benzylphenyl)methanone has a molecular weight of 384.52 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-benzylphenyl)methanone is sourced from PubChem (CID 139986726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).