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

C12H21ClN2O — CID 19317751

IUPAC3-amino-2-(piperidin-1-ylmethyl)cyclohex-2-en-1-one;hydrochloride
SMILESCl.NC1=C(CN2CCCCC2)C(=O)CCC1
InChIInChI=1S/C12H20N2O.ClH/c13-11-5-4-6-12(15)10(11)9-14-7-2-1-3-8-14;/h1-9,13H2;1H
InChIKeyGSKHZJJYQDCQFR-UHFFFAOYSA-N
MW244.77 g/mol
LogP1.86
Rot. Bonds2

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

3-amino-2-(piperidin-1-ylmethyl)cyclohex-2-en-1-one;hydrochloride (PubChem CID 19317751) has the molecular formula C12H21ClN2O and a molecular weight of 244.77 g/mol. Its IUPAC name is 3-amino-2-(piperidin-1-ylmethyl)cyclohex-2-en-1-one;hydrochloride.

Molecular Properties

Compound Name3-amino-2-(piperidin-1-ylmethyl)cyclohex-2-en-1-one;hydrochloride
PubChem CID19317751
Molecular FormulaC12H21ClN2O
Molecular Weight244.77 g/mol
Exact Mass244.13
IUPAC Name3-amino-2-(piperidin-1-ylmethyl)cyclohex-2-en-1-one;hydrochloride
SMILESCl.NC1=C(CN2CCCCC2)C(=O)CCC1
InChIInChI=1S/C12H20N2O.ClH/c13-11-5-4-6-12(15)10(11)9-14-7-2-1-3-8-14;/h1-9,13H2;1H
InChIKeyGSKHZJJYQDCQFR-UHFFFAOYSA-N
XLogP1.86
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.77
LogP ≤ 51.86
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;hydrochloride?
The IUPAC name of 3-amino-2-(piperidin-1-ylmethyl)cyclohex-2-en-1-one;hydrochloride (CID 19317751) is 3-amino-2-(piperidin-1-ylmethyl)cyclohex-2-en-1-one;hydrochloride.
What is the SMILES notation for 3-amino-2-(piperidin-1-ylmethyl)cyclohex-2-en-1-one;hydrochloride?
The canonical SMILES for 3-amino-2-(piperidin-1-ylmethyl)cyclohex-2-en-1-one;hydrochloride is Cl.NC1=C(CN2CCCCC2)C(=O)CCC1.
What is the InChIKey of 3-amino-2-(piperidin-1-ylmethyl)cyclohex-2-en-1-one;hydrochloride?
The InChIKey is GSKHZJJYQDCQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O.ClH/c13-11-5-4-6-12(15)10(11)9-14-7-2-1-3-8-14;/h1-9,13H2;1H.
What are the key properties of 3-amino-2-(piperidin-1-ylmethyl)cyclohex-2-en-1-one;hydrochloride?
3-amino-2-(piperidin-1-ylmethyl)cyclohex-2-en-1-one;hydrochloride has a molecular weight of 244.77 g/mol, XLogP of 1.86, 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;hydrochloride is sourced from PubChem (CID 19317751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).