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

C14H20N2O — CID 54936358

IUPAC1-[1-[4-(aminomethyl)phenyl]ethyl]piperidin-2-one
SMILESCC(c1ccc(CN)cc1)N1CCCCC1=O
InChIInChI=1S/C14H20N2O/c1-11(16-9-3-2-4-14(16)17)13-7-5-12(10-15)6-8-13/h5-8,11H,2-4,9-10,15H2,1H3
InChIKeyGASCTEQHJXWNIC-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.22
Rot. Bonds3

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

1-[1-[4-(aminomethyl)phenyl]ethyl]piperidin-2-one (PubChem CID 54936358) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-[1-[4-(aminomethyl)phenyl]ethyl]piperidin-2-one.

Molecular Properties

Compound Name1-[1-[4-(aminomethyl)phenyl]ethyl]piperidin-2-one
PubChem CID54936358
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-[1-[4-(aminomethyl)phenyl]ethyl]piperidin-2-one
SMILESCC(c1ccc(CN)cc1)N1CCCCC1=O
InChIInChI=1S/C14H20N2O/c1-11(16-9-3-2-4-14(16)17)13-7-5-12(10-15)6-8-13/h5-8,11H,2-4,9-10,15H2,1H3
InChIKeyGASCTEQHJXWNIC-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(aminomethyl)phenyl]ethyl]piperidin-2-one?
The IUPAC name of 1-[1-[4-(aminomethyl)phenyl]ethyl]piperidin-2-one (CID 54936358) is 1-[1-[4-(aminomethyl)phenyl]ethyl]piperidin-2-one.
What is the SMILES notation for 1-[1-[4-(aminomethyl)phenyl]ethyl]piperidin-2-one?
The canonical SMILES for 1-[1-[4-(aminomethyl)phenyl]ethyl]piperidin-2-one is CC(c1ccc(CN)cc1)N1CCCCC1=O.
What is the InChIKey of 1-[1-[4-(aminomethyl)phenyl]ethyl]piperidin-2-one?
The InChIKey is GASCTEQHJXWNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11(16-9-3-2-4-14(16)17)13-7-5-12(10-15)6-8-13/h5-8,11H,2-4,9-10,15H2,1H3.
What are the key properties of 1-[1-[4-(aminomethyl)phenyl]ethyl]piperidin-2-one?
1-[1-[4-(aminomethyl)phenyl]ethyl]piperidin-2-one has a molecular weight of 232.33 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(aminomethyl)phenyl]ethyl]piperidin-2-one is sourced from PubChem (CID 54936358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).