[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2-ethylphenyl)methanone

C21H26N2O — CID 22265908

IUPAC[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2-ethylphenyl)methanone
SMILESCCc1ccccc1C(=O)N1CCC(c2cccc(CN)c2)CC1
InChIInChI=1S/C21H26N2O/c1-2-17-7-3-4-9-20(17)21(24)23-12-10-18(11-13-23)19-8-5-6-16(14-19)15-22/h3-9,14,18H,2,10-13,15,22H2,1H3
InChIKeyGEGBEFQDBKYOQS-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.73
Rot. Bonds4

About [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2-ethylphenyl)methanone

[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2-ethylphenyl)methanone (PubChem CID 22265908) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2-ethylphenyl)methanone.

Molecular Properties

Compound Name[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2-ethylphenyl)methanone
PubChem CID22265908
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2-ethylphenyl)methanone
SMILESCCc1ccccc1C(=O)N1CCC(c2cccc(CN)c2)CC1
InChIInChI=1S/C21H26N2O/c1-2-17-7-3-4-9-20(17)21(24)23-12-10-18(11-13-23)19-8-5-6-16(14-19)15-22/h3-9,14,18H,2,10-13,15,22H2,1H3
InChIKeyGEGBEFQDBKYOQS-UHFFFAOYSA-N
XLogP3.73
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2-methylsulfanylphenyl)methanone
CID 23587319
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-hydroxynaphthalen-2-yl)methanone
CID 23587338
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 23587301
4-[3-(aminomethyl)phenyl]piperidine-1-carboxylic acid
CID 22266122
4-[1-(2-ethylbenzoyl)piperidin-4-yl]-1H-pyridin-2-one
CID 138807182
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-benzylphenyl)methanone
CID 139986726
(2-amino-3,5-dichlorophenyl)-[4-[3-(aminomethyl)phenyl]piperidin-1-yl]methanone
CID 23587256
1-[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 23587168
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 23587358
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 23587339
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[1-(4-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl]methanone
CID 70947721
3-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]-1H-quinolin-4-one
CID 22265985

Frequently Asked Questions

What is the IUPAC name of [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2-ethylphenyl)methanone?
The IUPAC name of [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2-ethylphenyl)methanone (CID 22265908) is [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2-ethylphenyl)methanone.
What is the SMILES notation for [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2-ethylphenyl)methanone?
The canonical SMILES for [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2-ethylphenyl)methanone is CCc1ccccc1C(=O)N1CCC(c2cccc(CN)c2)CC1.
What is the InChIKey of [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2-ethylphenyl)methanone?
The InChIKey is GEGBEFQDBKYOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-2-17-7-3-4-9-20(17)21(24)23-12-10-18(11-13-23)19-8-5-6-16(14-19)15-22/h3-9,14,18H,2,10-13,15,22H2,1H3.
What are the key properties of [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2-ethylphenyl)methanone?
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2-ethylphenyl)methanone has a molecular weight of 322.45 g/mol, XLogP of 3.73, 4 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]-(2-ethylphenyl)methanone is sourced from PubChem (CID 22265908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).