1-[4-[(1S)-1-hydroxyethyl]-2-pyridinyl]-4-methylpiperidin-4-ol

C13H20N2O2 — CID 81103809

IUPAC1-[4-[(1S)-1-hydroxyethyl]-2-pyridinyl]-4-methylpiperidin-4-ol
SMILESC[C@H](O)c1ccnc(N2CCC(C)(O)CC2)c1
InChIInChI=1S/C13H20N2O2/c1-10(16)11-3-6-14-12(9-11)15-7-4-13(2,17)5-8-15/h3,6,9-10,16-17H,4-5,7-8H2,1-2H3/t10-/m0/s1
InChIKeyOJOHONALHSJUHU-JTQLQIEISA-N
MW236.31 g/mol
LogP1.49
Rot. Bonds2

About 1-[4-[(1S)-1-hydroxyethyl]-2-pyridinyl]-4-methylpiperidin-4-ol

1-[4-[(1S)-1-hydroxyethyl]-2-pyridinyl]-4-methylpiperidin-4-ol (PubChem CID 81103809) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-[4-[(1S)-1-hydroxyethyl]-2-pyridinyl]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[4-[(1S)-1-hydroxyethyl]-2-pyridinyl]-4-methylpiperidin-4-ol
PubChem CID81103809
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-[4-[(1S)-1-hydroxyethyl]-2-pyridinyl]-4-methylpiperidin-4-ol
SMILESC[C@H](O)c1ccnc(N2CCC(C)(O)CC2)c1
InChIInChI=1S/C13H20N2O2/c1-10(16)11-3-6-14-12(9-11)15-7-4-13(2,17)5-8-15/h3,6,9-10,16-17H,4-5,7-8H2,1-2H3/t10-/m0/s1
InChIKeyOJOHONALHSJUHU-JTQLQIEISA-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

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Related Compounds

(1S)-1-[2-(3-methoxy-3-methylpiperidin-1-yl)-4-pyridinyl]ethanol
CID 107393526
(1S)-1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]ethanol
CID 104921402
1-[4-[(1S)-1-aminoethyl]-2-pyridinyl]-3-methylpiperidin-3-ol
CID 104876735
1-[4-[(1R)-1-aminoethyl]-2-pyridinyl]-3-methylpiperidin-3-ol
CID 104876717
1-[2-bromo-4-[(1S)-1-hydroxyethyl]phenyl]-4-methylpiperidin-4-ol
CID 81103130
N-[[1-[4-[(1R)-1-hydroxyethyl]-2-pyridinyl]piperidin-4-yl]methyl]acetamide
CID 102736631
(1R)-1-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-pyridinyl]ethanol
CID 82750432
2-[4-(1-hydroxyethyl)-2-pyridinyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82862873
(1S)-1-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-4-pyridinyl]ethanol
CID 102782329
1-[4-[(1S)-1-hydroxyethyl]phenyl]-3-methylpyrrolidin-3-ol
CID 103356747
1-[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]-4-methylpiperidin-4-ol
CID 83132184
1-[2-(2-ethyl-1,4-oxazepan-4-yl)-4-pyridinyl]ethanol
CID 114218551

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1S)-1-hydroxyethyl]-2-pyridinyl]-4-methylpiperidin-4-ol?
The IUPAC name of 1-[4-[(1S)-1-hydroxyethyl]-2-pyridinyl]-4-methylpiperidin-4-ol (CID 81103809) is 1-[4-[(1S)-1-hydroxyethyl]-2-pyridinyl]-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-[4-[(1S)-1-hydroxyethyl]-2-pyridinyl]-4-methylpiperidin-4-ol?
The canonical SMILES for 1-[4-[(1S)-1-hydroxyethyl]-2-pyridinyl]-4-methylpiperidin-4-ol is C[C@H](O)c1ccnc(N2CCC(C)(O)CC2)c1.
What is the InChIKey of 1-[4-[(1S)-1-hydroxyethyl]-2-pyridinyl]-4-methylpiperidin-4-ol?
The InChIKey is OJOHONALHSJUHU-JTQLQIEISA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(16)11-3-6-14-12(9-11)15-7-4-13(2,17)5-8-15/h3,6,9-10,16-17H,4-5,7-8H2,1-2H3/t10-/m0/s1.
What are the key properties of 1-[4-[(1S)-1-hydroxyethyl]-2-pyridinyl]-4-methylpiperidin-4-ol?
1-[4-[(1S)-1-hydroxyethyl]-2-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-[4-[(1S)-1-hydroxyethyl]-2-pyridinyl]-4-methylpiperidin-4-ol is sourced from PubChem (CID 81103809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).