2-(3-methylpiperidin-1-yl)cyclohexane-1,4-diol

C12H23NO2 — CID 140812074

IUPAC2-(3-methylpiperidin-1-yl)cyclohexane-1,4-diol
SMILESCC1CCCN(C2CC(O)CCC2O)C1
InChIInChI=1S/C12H23NO2/c1-9-3-2-6-13(8-9)11-7-10(14)4-5-12(11)15/h9-12,14-15H,2-8H2,1H3
InChIKeyQSWXTPKSWWLLSA-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.99
Rot. Bonds1

About 2-(3-methylpiperidin-1-yl)cyclohexane-1,4-diol

2-(3-methylpiperidin-1-yl)cyclohexane-1,4-diol (PubChem CID 140812074) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-(3-methylpiperidin-1-yl)cyclohexane-1,4-diol.

Molecular Properties

Compound Name2-(3-methylpiperidin-1-yl)cyclohexane-1,4-diol
PubChem CID140812074
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-(3-methylpiperidin-1-yl)cyclohexane-1,4-diol
SMILESCC1CCCN(C2CC(O)CCC2O)C1
InChIInChI=1S/C12H23NO2/c1-9-3-2-6-13(8-9)11-7-10(14)4-5-12(11)15/h9-12,14-15H,2-8H2,1H3
InChIKeyQSWXTPKSWWLLSA-UHFFFAOYSA-N
XLogP0.99
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-Methylpiperidin-1-yl)cyclohexan-1-ol
CID 60714719
4,5-Bis(hydroxymethyl)-1,2-dimethylpiperidin-3-ol
CID 146709504
1-(Cyclohexylmethyl)-2-(hydroxymethyl)piperidin-4-ol;methanol
CID 157039430
1-(Cyclohexylmethyl)-2-(hydroxymethyl)piperidin-4-ol
CID 157039431
1-(3-Ethylhexyl)-2-(hydroxymethyl)piperidin-4-ol
CID 157039735
2-(Hydroxymethyl)-1-[(4-methoxycyclohexyl)methyl]piperidin-4-ol
CID 157039755
(2S,4R)-1-(cyclohexylmethyl)-2-(hydroxymethyl)piperidin-4-ol
CID 169928696
2-(3-Methoxypiperidin-1-yl)-6-methylcyclohexane-1,4-diol
CID 171538548
[2-(Hydroxymethyl)-1-methylpiperidin-3-yl]methanol
CID 174297211
1-[1-(2-Hydroxypropyl)-2-methylpiperidin-4-yl]propan-2-ol
CID 177700903
3-[Tert-butyl(methyl)amino]-4-methoxycyclohexan-1-ol
CID 178713760
2-(3,5-Dimethylpiperidin-1-yl)cyclohexan-1-ol
CID 60714788

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpiperidin-1-yl)cyclohexane-1,4-diol?
The IUPAC name of 2-(3-methylpiperidin-1-yl)cyclohexane-1,4-diol (CID 140812074) is 2-(3-methylpiperidin-1-yl)cyclohexane-1,4-diol.
What is the SMILES notation for 2-(3-methylpiperidin-1-yl)cyclohexane-1,4-diol?
The canonical SMILES for 2-(3-methylpiperidin-1-yl)cyclohexane-1,4-diol is CC1CCCN(C2CC(O)CCC2O)C1.
What is the InChIKey of 2-(3-methylpiperidin-1-yl)cyclohexane-1,4-diol?
The InChIKey is QSWXTPKSWWLLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-9-3-2-6-13(8-9)11-7-10(14)4-5-12(11)15/h9-12,14-15H,2-8H2,1H3.
What are the key properties of 2-(3-methylpiperidin-1-yl)cyclohexane-1,4-diol?
2-(3-methylpiperidin-1-yl)cyclohexane-1,4-diol has a molecular weight of 213.32 g/mol, XLogP of 0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpiperidin-1-yl)cyclohexane-1,4-diol is sourced from PubChem (CID 140812074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).