3-amino-2-(piperidin-1-ylmethyl)cyclohex-2-en-1-one

C12H20N2O — CID 4239326

IUPAC3-amino-2-(piperidin-1-ylmethyl)cyclohex-2-en-1-one
SMILESNC1=C(CN2CCCCC2)C(=O)CCC1
InChIInChI=1S/C12H20N2O/c13-11-5-4-6-12(15)10(11)9-14-7-2-1-3-8-14/h1-9,13H2
InChIKeyDXAFXVGREJFKTA-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.44
Rot. Bonds2

About 3-amino-2-(piperidin-1-ylmethyl)cyclohex-2-en-1-one

3-amino-2-(piperidin-1-ylmethyl)cyclohex-2-en-1-one (PubChem CID 4239326) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 3-amino-2-(piperidin-1-ylmethyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-amino-2-(piperidin-1-ylmethyl)cyclohex-2-en-1-one
PubChem CID4239326
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name3-amino-2-(piperidin-1-ylmethyl)cyclohex-2-en-1-one
SMILESNC1=C(CN2CCCCC2)C(=O)CCC1
InChIInChI=1S/C12H20N2O/c13-11-5-4-6-12(15)10(11)9-14-7-2-1-3-8-14/h1-9,13H2
InChIKeyDXAFXVGREJFKTA-UHFFFAOYSA-N
XLogP1.44
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(piperidin-1-ylmethyl)cyclohex-2-en-1-one?
The IUPAC name of 3-amino-2-(piperidin-1-ylmethyl)cyclohex-2-en-1-one (CID 4239326) is 3-amino-2-(piperidin-1-ylmethyl)cyclohex-2-en-1-one.
What is the SMILES notation for 3-amino-2-(piperidin-1-ylmethyl)cyclohex-2-en-1-one?
The canonical SMILES for 3-amino-2-(piperidin-1-ylmethyl)cyclohex-2-en-1-one is NC1=C(CN2CCCCC2)C(=O)CCC1.
What is the InChIKey of 3-amino-2-(piperidin-1-ylmethyl)cyclohex-2-en-1-one?
The InChIKey is DXAFXVGREJFKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c13-11-5-4-6-12(15)10(11)9-14-7-2-1-3-8-14/h1-9,13H2.
What are the key properties of 3-amino-2-(piperidin-1-ylmethyl)cyclohex-2-en-1-one?
3-amino-2-(piperidin-1-ylmethyl)cyclohex-2-en-1-one has a molecular weight of 208.30 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(piperidin-1-ylmethyl)cyclohex-2-en-1-one is sourced from PubChem (CID 4239326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).