4-chloro-1-(piperidin-4-ylmethyl)pyridin-2-one;hydrochloride

C11H16Cl2N2O — CID 90038085

IUPAC4-chloro-1-(piperidin-4-ylmethyl)pyridin-2-one;hydrochloride
SMILESCl.O=c1cc(Cl)ccn1CC1CCNCC1
InChIInChI=1S/C11H15ClN2O.ClH/c12-10-3-6-14(11(15)7-10)8-9-1-4-13-5-2-9;/h3,6-7,9,13H,1-2,4-5,8H2;1H
InChIKeyNLANGBLOEBRPOO-UHFFFAOYSA-N
MW263.17 g/mol
LogP1.92
Rot. Bonds2

About 4-chloro-1-(piperidin-4-ylmethyl)pyridin-2-one;hydrochloride

4-chloro-1-(piperidin-4-ylmethyl)pyridin-2-one;hydrochloride (PubChem CID 90038085) has the molecular formula C11H16Cl2N2O and a molecular weight of 263.17 g/mol. Its IUPAC name is 4-chloro-1-(piperidin-4-ylmethyl)pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name4-chloro-1-(piperidin-4-ylmethyl)pyridin-2-one;hydrochloride
PubChem CID90038085
Molecular FormulaC11H16Cl2N2O
Molecular Weight263.17 g/mol
Exact Mass262.06
IUPAC Name4-chloro-1-(piperidin-4-ylmethyl)pyridin-2-one;hydrochloride
SMILESCl.O=c1cc(Cl)ccn1CC1CCNCC1
InChIInChI=1S/C11H15ClN2O.ClH/c12-10-3-6-14(11(15)7-10)8-9-1-4-13-5-2-9;/h3,6-7,9,13H,1-2,4-5,8H2;1H
InChIKeyNLANGBLOEBRPOO-UHFFFAOYSA-N
XLogP1.92
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.17
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(piperidin-4-ylmethyl)pyridin-2-one;hydrochloride?
The IUPAC name of 4-chloro-1-(piperidin-4-ylmethyl)pyridin-2-one;hydrochloride (CID 90038085) is 4-chloro-1-(piperidin-4-ylmethyl)pyridin-2-one;hydrochloride.
What is the SMILES notation for 4-chloro-1-(piperidin-4-ylmethyl)pyridin-2-one;hydrochloride?
The canonical SMILES for 4-chloro-1-(piperidin-4-ylmethyl)pyridin-2-one;hydrochloride is Cl.O=c1cc(Cl)ccn1CC1CCNCC1.
What is the InChIKey of 4-chloro-1-(piperidin-4-ylmethyl)pyridin-2-one;hydrochloride?
The InChIKey is NLANGBLOEBRPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O.ClH/c12-10-3-6-14(11(15)7-10)8-9-1-4-13-5-2-9;/h3,6-7,9,13H,1-2,4-5,8H2;1H.
What are the key properties of 4-chloro-1-(piperidin-4-ylmethyl)pyridin-2-one;hydrochloride?
4-chloro-1-(piperidin-4-ylmethyl)pyridin-2-one;hydrochloride has a molecular weight of 263.17 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(piperidin-4-ylmethyl)pyridin-2-one;hydrochloride is sourced from PubChem (CID 90038085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).