1-(3-chloro-4-pyridinyl)-4-methylpiperidin-4-ol

C11H15ClN2O — CID 80703734

IUPAC1-(3-chloro-4-pyridinyl)-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(c2ccncc2Cl)CC1
InChIInChI=1S/C11H15ClN2O/c1-11(15)3-6-14(7-4-11)10-2-5-13-8-9(10)12/h2,5,8,15H,3-4,6-7H2,1H3
InChIKeyWMPWRQYTQVXNNO-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.09
Rot. Bonds1

About 1-(3-chloro-4-pyridinyl)-4-methylpiperidin-4-ol

1-(3-chloro-4-pyridinyl)-4-methylpiperidin-4-ol (PubChem CID 80703734) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-4-methylpiperidin-4-ol
PubChem CID80703734
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name1-(3-chloro-4-pyridinyl)-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(c2ccncc2Cl)CC1
InChIInChI=1S/C11H15ClN2O/c1-11(15)3-6-14(7-4-11)10-2-5-13-8-9(10)12/h2,5,8,15H,3-4,6-7H2,1H3
InChIKeyWMPWRQYTQVXNNO-UHFFFAOYSA-N
XLogP2.09
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-4-methylpiperidin-4-ol?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-4-methylpiperidin-4-ol (CID 80703734) is 1-(3-chloro-4-pyridinyl)-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-4-methylpiperidin-4-ol?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-4-methylpiperidin-4-ol is CC1(O)CCN(c2ccncc2Cl)CC1.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-4-methylpiperidin-4-ol?
The InChIKey is WMPWRQYTQVXNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-11(15)3-6-14(7-4-11)10-2-5-13-8-9(10)12/h2,5,8,15H,3-4,6-7H2,1H3.
What are the key properties of 1-(3-chloro-4-pyridinyl)-4-methylpiperidin-4-ol?
1-(3-chloro-4-pyridinyl)-4-methylpiperidin-4-ol has a molecular weight of 226.71 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyridinyl)-4-methylpiperidin-4-ol is sourced from PubChem (CID 80703734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).