2-[4-(aminomethyl)phenyl]piperidin-3-one

C12H16N2O — CID 105456406

IUPAC2-[4-(aminomethyl)phenyl]piperidin-3-one
SMILESNCc1ccc(C2NCCCC2=O)cc1
InChIInChI=1S/C12H16N2O/c13-8-9-3-5-10(6-4-9)12-11(15)2-1-7-14-12/h3-6,12,14H,1-2,7-8,13H2
InChIKeyQSXHIVNJFPFMSH-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.14
Rot. Bonds2

About 2-[4-(aminomethyl)phenyl]piperidin-3-one

2-[4-(aminomethyl)phenyl]piperidin-3-one (PubChem CID 105456406) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenyl]piperidin-3-one.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenyl]piperidin-3-one
PubChem CID105456406
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-[4-(aminomethyl)phenyl]piperidin-3-one
SMILESNCc1ccc(C2NCCCC2=O)cc1
InChIInChI=1S/C12H16N2O/c13-8-9-3-5-10(6-4-9)12-11(15)2-1-7-14-12/h3-6,12,14H,1-2,7-8,13H2
InChIKeyQSXHIVNJFPFMSH-UHFFFAOYSA-N
XLogP1.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)piperidin-3-one;hydrochloride
CID 115044476
2-[4-(aminomethyl)phenyl]-1-methylpiperidin-3-one
CID 105472763
2-(3-methoxyphenyl)piperidin-3-one;hydrochloride
CID 115044474
(4-cyclohexylphenyl)methanamine
CID 22246867
[4-(4-piperidin-4-ylphenyl)phenyl]methanamine
CID 116988072
(2R)-N-[4-(aminomethyl)phenyl]pyrrolidine-2-carboxamide
CID 143190903
2-(3-bromophenyl)pyrrolidin-3-one
CID 83843081
2-ethylpiperidin-3-one
CID 44890822
5-(aminomethyl)-1-(pyrrolidin-2-ylmethyl)-3H-indol-2-one
CID 115208250
3-[4-(aminomethyl)phenyl]-3H-furan-2-one
CID 162787562
ethane;3-(4-methoxyphenyl)-1,4-diazepan-2-one
CID 171840578
7-[4-(aminomethyl)phenyl]-5,7-diazaspiro[3.4]octane-6,8-dione
CID 81167433

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenyl]piperidin-3-one?
The IUPAC name of 2-[4-(aminomethyl)phenyl]piperidin-3-one (CID 105456406) is 2-[4-(aminomethyl)phenyl]piperidin-3-one.
What is the SMILES notation for 2-[4-(aminomethyl)phenyl]piperidin-3-one?
The canonical SMILES for 2-[4-(aminomethyl)phenyl]piperidin-3-one is NCc1ccc(C2NCCCC2=O)cc1.
What is the InChIKey of 2-[4-(aminomethyl)phenyl]piperidin-3-one?
The InChIKey is QSXHIVNJFPFMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c13-8-9-3-5-10(6-4-9)12-11(15)2-1-7-14-12/h3-6,12,14H,1-2,7-8,13H2.
What are the key properties of 2-[4-(aminomethyl)phenyl]piperidin-3-one?
2-[4-(aminomethyl)phenyl]piperidin-3-one has a molecular weight of 204.27 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)phenyl]piperidin-3-one is sourced from PubChem (CID 105456406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).