4-(aminomethyl)-1-(2-phenylethyl)piperidin-2-one

C14H20N2O — CID 83645468

IUPAC4-(aminomethyl)-1-(2-phenylethyl)piperidin-2-one
SMILESNCC1CCN(CCc2ccccc2)C(=O)C1
InChIInChI=1S/C14H20N2O/c15-11-13-7-9-16(14(17)10-13)8-6-12-4-2-1-3-5-12/h1-5,13H,6-11,15H2
InChIKeyQHQVTSSBQZFAEH-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.43
Rot. Bonds4

About 4-(aminomethyl)-1-(2-phenylethyl)piperidin-2-one

4-(aminomethyl)-1-(2-phenylethyl)piperidin-2-one (PubChem CID 83645468) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-(aminomethyl)-1-(2-phenylethyl)piperidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-(2-phenylethyl)piperidin-2-one
PubChem CID83645468
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name4-(aminomethyl)-1-(2-phenylethyl)piperidin-2-one
SMILESNCC1CCN(CCc2ccccc2)C(=O)C1
InChIInChI=1S/C14H20N2O/c15-11-13-7-9-16(14(17)10-13)8-6-12-4-2-1-3-5-12/h1-5,13H,6-11,15H2
InChIKeyQHQVTSSBQZFAEH-UHFFFAOYSA-N
XLogP1.43
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-amino-1-(2-phenylethyl)pyrrolidin-2-one
CID 11096743
1,4-dibenzylpiperidin-2-one
CID 57246894
4-(aminomethyl)-1-[2-(3-chlorophenyl)ethyl]pyrrolidin-2-one
CID 71683623
[(3R)-1-(2-phenylethyl)piperidin-3-yl]methanamine
CID 7219815
[1-(2-phenylethyl)piperidin-3-yl]methanamine
CID 6484148
[1-(4-phenylbutyl)piperidin-4-yl]methanamine
CID 69419059
3-benzyl-1-(2-phenylethyl)pyrrolidin-2-one
CID 59741125
4-(aminomethyl)-1-[2-(2-hydroxyphenyl)ethyl]pyrrolidin-2-one
CID 168660240
N'-hydroxy-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboximidamide
CID 138111361
1-[2-(4-fluorophenyl)ethyl]-2-oxopiperidine-4-carbonitrile
CID 116837872
2-oxo-1-(2-pyridin-4-ylethyl)piperidine-4-carbonitrile
CID 116837901
(4R)-4-acetyl-1-(2-phenylethyl)pyrrolidin-2-one
CID 71239800

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-(2-phenylethyl)piperidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-(2-phenylethyl)piperidin-2-one (CID 83645468) is 4-(aminomethyl)-1-(2-phenylethyl)piperidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-(2-phenylethyl)piperidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-(2-phenylethyl)piperidin-2-one is NCC1CCN(CCc2ccccc2)C(=O)C1.
What is the InChIKey of 4-(aminomethyl)-1-(2-phenylethyl)piperidin-2-one?
The InChIKey is QHQVTSSBQZFAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c15-11-13-7-9-16(14(17)10-13)8-6-12-4-2-1-3-5-12/h1-5,13H,6-11,15H2.
What are the key properties of 4-(aminomethyl)-1-(2-phenylethyl)piperidin-2-one?
4-(aminomethyl)-1-(2-phenylethyl)piperidin-2-one has a molecular weight of 232.33 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-(2-phenylethyl)piperidin-2-one is sourced from PubChem (CID 83645468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).