1-[[2-(aminomethyl)phenyl]methyl]-3-methylpiperidin-2-one

C14H20N2O — CID 104679826

IUPAC1-[[2-(aminomethyl)phenyl]methyl]-3-methylpiperidin-2-one
SMILESCC1CCCN(Cc2ccccc2CN)C1=O
InChIInChI=1S/C14H20N2O/c1-11-5-4-8-16(14(11)17)10-13-7-3-2-6-12(13)9-15/h2-3,6-7,11H,4-5,8-10,15H2,1H3
InChIKeyFFTNDUNNNSQWBQ-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.90
Rot. Bonds3

About 1-[[2-(aminomethyl)phenyl]methyl]-3-methylpiperidin-2-one

1-[[2-(aminomethyl)phenyl]methyl]-3-methylpiperidin-2-one (PubChem CID 104679826) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-[[2-(aminomethyl)phenyl]methyl]-3-methylpiperidin-2-one.

Molecular Properties

Compound Name1-[[2-(aminomethyl)phenyl]methyl]-3-methylpiperidin-2-one
PubChem CID104679826
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-[[2-(aminomethyl)phenyl]methyl]-3-methylpiperidin-2-one
SMILESCC1CCCN(Cc2ccccc2CN)C1=O
InChIInChI=1S/C14H20N2O/c1-11-5-4-8-16(14(11)17)10-13-7-3-2-6-12(13)9-15/h2-3,6-7,11H,4-5,8-10,15H2,1H3
InChIKeyFFTNDUNNNSQWBQ-UHFFFAOYSA-N
XLogP1.90
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-3-methylpiperidin-2-one
CID 113440359
1-[(6-chloro-2-pyridinyl)methyl]-3-methylpiperidin-2-one
CID 104680078
1-[(4-iodophenyl)methyl]-3-methylpiperidin-2-one
CID 104680275
1-[(2-ethylphenyl)methyl]-3-(methylamino)piperidin-2-one
CID 64695618
1-[(2-amino-5-nitrophenyl)methyl]-3-methylpiperidin-2-one
CID 104680397
2-[[2-(aminomethyl)phenyl]methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 103980082
[2-[(2,6-dimethylpiperidin-1-yl)methyl]phenyl]methanamine
CID 15121448
1-[2-(aminomethyl)prop-2-enyl]-3-methylpiperidin-2-one
CID 103073008
1-[(2-hydrazinyl-5-nitrophenyl)methyl]-3-methylpiperidin-2-one
CID 104680423
(3R)-1-(cyclopropylmethyl)-3-methylpiperidin-2-one
CID 163890114
3-[(3-methyl-2-oxopiperidin-1-yl)methyl]-1-benzofuran-2-carboxylic acid
CID 104679851
5-methyl-4-[(3-methyl-2-oxopiperidin-1-yl)methyl]furan-2-carbohydrazide
CID 104680451

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(aminomethyl)phenyl]methyl]-3-methylpiperidin-2-one?
The IUPAC name of 1-[[2-(aminomethyl)phenyl]methyl]-3-methylpiperidin-2-one (CID 104679826) is 1-[[2-(aminomethyl)phenyl]methyl]-3-methylpiperidin-2-one.
What is the SMILES notation for 1-[[2-(aminomethyl)phenyl]methyl]-3-methylpiperidin-2-one?
The canonical SMILES for 1-[[2-(aminomethyl)phenyl]methyl]-3-methylpiperidin-2-one is CC1CCCN(Cc2ccccc2CN)C1=O.
What is the InChIKey of 1-[[2-(aminomethyl)phenyl]methyl]-3-methylpiperidin-2-one?
The InChIKey is FFTNDUNNNSQWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11-5-4-8-16(14(11)17)10-13-7-3-2-6-12(13)9-15/h2-3,6-7,11H,4-5,8-10,15H2,1H3.
What are the key properties of 1-[[2-(aminomethyl)phenyl]methyl]-3-methylpiperidin-2-one?
1-[[2-(aminomethyl)phenyl]methyl]-3-methylpiperidin-2-one has a molecular weight of 232.33 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(aminomethyl)phenyl]methyl]-3-methylpiperidin-2-one is sourced from PubChem (CID 104679826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).