1-[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]-4-methylpiperidin-4-ol

C13H20N2O2 — CID 83132184

IUPAC1-[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]-4-methylpiperidin-4-ol
SMILESC[C@@H](O)c1ccc(N2CCC(C)(O)CC2)cn1
InChIInChI=1S/C13H20N2O2/c1-10(16)12-4-3-11(9-14-12)15-7-5-13(2,17)6-8-15/h3-4,9-10,16-17H,5-8H2,1-2H3/t10-/m1/s1
InChIKeyCFLUWTBDPYDGCZ-SNVBAGLBSA-N
MW236.31 g/mol
LogP1.49
Rot. Bonds2

About 1-[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]-4-methylpiperidin-4-ol

1-[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]-4-methylpiperidin-4-ol (PubChem CID 83132184) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]-4-methylpiperidin-4-ol
PubChem CID83132184
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]-4-methylpiperidin-4-ol
SMILESC[C@@H](O)c1ccc(N2CCC(C)(O)CC2)cn1
InChIInChI=1S/C13H20N2O2/c1-10(16)12-4-3-11(9-14-12)15-7-5-13(2,17)6-8-15/h3-4,9-10,16-17H,5-8H2,1-2H3/t10-/m1/s1
InChIKeyCFLUWTBDPYDGCZ-SNVBAGLBSA-N
XLogP1.49
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]-4-methylpiperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]-4-methylpiperidin-4-ol?
The IUPAC name of 1-[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]-4-methylpiperidin-4-ol (CID 83132184) is 1-[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]-4-methylpiperidin-4-ol?
The canonical SMILES for 1-[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]-4-methylpiperidin-4-ol is C[C@@H](O)c1ccc(N2CCC(C)(O)CC2)cn1.
What is the InChIKey of 1-[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]-4-methylpiperidin-4-ol?
The InChIKey is CFLUWTBDPYDGCZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(16)12-4-3-11(9-14-12)15-7-5-13(2,17)6-8-15/h3-4,9-10,16-17H,5-8H2,1-2H3/t10-/m1/s1.
What are the key properties of 1-[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]-4-methylpiperidin-4-ol?
1-[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]-4-methylpiperidin-4-ol has a molecular weight of 236.31 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]-4-methylpiperidin-4-ol is sourced from PubChem (CID 83132184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).