1-[4-(aminomethyl)phenyl]piperidin-2-one

C12H16N2O — CID 4712025

IUPAC1-[4-(aminomethyl)phenyl]piperidin-2-one
SMILESNCc1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C12H16N2O/c13-9-10-4-6-11(7-5-10)14-8-2-1-3-12(14)15/h4-7H,1-3,8-9,13H2
InChIKeyIGFLLQNIGPBMTN-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.66
Rot. Bonds2

About 1-[4-(aminomethyl)phenyl]piperidin-2-one

1-[4-(aminomethyl)phenyl]piperidin-2-one (PubChem CID 4712025) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]piperidin-2-one.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]piperidin-2-one
PubChem CID4712025
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-[4-(aminomethyl)phenyl]piperidin-2-one
SMILESNCc1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C12H16N2O/c13-9-10-4-6-11(7-5-10)14-8-2-1-3-12(14)15/h4-7H,1-3,8-9,13H2
InChIKeyIGFLLQNIGPBMTN-UHFFFAOYSA-N
XLogP1.66
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]piperidin-2-one?
The IUPAC name of 1-[4-(aminomethyl)phenyl]piperidin-2-one (CID 4712025) is 1-[4-(aminomethyl)phenyl]piperidin-2-one.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]piperidin-2-one?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]piperidin-2-one is NCc1ccc(N2CCCCC2=O)cc1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]piperidin-2-one?
The InChIKey is IGFLLQNIGPBMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c13-9-10-4-6-11(7-5-10)14-8-2-1-3-12(14)15/h4-7H,1-3,8-9,13H2.
What are the key properties of 1-[4-(aminomethyl)phenyl]piperidin-2-one?
1-[4-(aminomethyl)phenyl]piperidin-2-one has a molecular weight of 204.27 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]piperidin-2-one is sourced from PubChem (CID 4712025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).