3-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-ol

C13H20N2O — CID 115873962

IUPAC3-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-ol
SMILESCc1cccc(CN2CCCC(C)(O)C2)n1
InChIInChI=1S/C13H20N2O/c1-11-5-3-6-12(14-11)9-15-8-4-7-13(2,16)10-15/h3,5-6,16H,4,7-10H2,1-2H3
InChIKeyAANHHJLFKRQSTG-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.74
Rot. Bonds2

About 3-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-ol

3-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-ol (PubChem CID 115873962) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name3-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-ol
PubChem CID115873962
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-ol
SMILESCc1cccc(CN2CCCC(C)(O)C2)n1
InChIInChI=1S/C13H20N2O/c1-11-5-3-6-12(14-11)9-15-8-4-7-13(2,16)10-15/h3,5-6,16H,4,7-10H2,1-2H3
InChIKeyAANHHJLFKRQSTG-UHFFFAOYSA-N
XLogP1.74
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(pyridin-2-ylmethyl)piperidin-3-ol
CID 115873664
1-[(6-chloro-2-pyridinyl)methyl]-3-methylpyrrolidin-3-ol
CID 103728462
3-methyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid
CID 79261129
(5R)-2-(2-fluoroethyl)-7-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decane
CID 97483305
2-methyl-1-[9-[(6-methyl-2-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-1-yl]propan-1-one
CID 131645591
2-[(6-methyl-2-pyridinyl)methyl]-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane
CID 97393864
1-benzyl-3-methylpiperidin-3-ol
CID 15283107
N,N-dimethyl-2-[(5R)-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]acetamide
CID 97482384
1-[(2,6-difluorophenyl)methyl]-3-methylpiperidin-3-ol
CID 115883312
7-[(6-methyl-2-pyridinyl)methyl]-1-methylsulfonyl-1,7-diazaspiro[4.4]nonane
CID 131641729
3-methyl-1-(pyridin-4-ylmethyl)piperidin-3-ol
CID 70987405
1-[(6S)-2-[(6-methyl-2-pyridinyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]ethanone
CID 97494997

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-ol?
The IUPAC name of 3-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-ol (CID 115873962) is 3-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-ol.
What is the SMILES notation for 3-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-ol?
The canonical SMILES for 3-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-ol is Cc1cccc(CN2CCCC(C)(O)C2)n1.
What is the InChIKey of 3-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-ol?
The InChIKey is AANHHJLFKRQSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-11-5-3-6-12(14-11)9-15-8-4-7-13(2,16)10-15/h3,5-6,16H,4,7-10H2,1-2H3.
What are the key properties of 3-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-ol?
3-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-ol has a molecular weight of 220.32 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-ol is sourced from PubChem (CID 115873962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).