[1-[(4-methyloxan-4-yl)methyl]piperidin-3-yl]methanol

C13H25NO2 — CID 104585504

IUPAC[1-[(4-methyloxan-4-yl)methyl]piperidin-3-yl]methanol
SMILESCC1(CN2CCCC(CO)C2)CCOCC1
InChIInChI=1S/C13H25NO2/c1-13(4-7-16-8-5-13)11-14-6-2-3-12(9-14)10-15/h12,15H,2-11H2,1H3
InChIKeyGDEDQDCEDBMMCY-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.51
Rot. Bonds3

About [1-[(4-methyloxan-4-yl)methyl]piperidin-3-yl]methanol

[1-[(4-methyloxan-4-yl)methyl]piperidin-3-yl]methanol (PubChem CID 104585504) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is [1-[(4-methyloxan-4-yl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(4-methyloxan-4-yl)methyl]piperidin-3-yl]methanol
PubChem CID104585504
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name[1-[(4-methyloxan-4-yl)methyl]piperidin-3-yl]methanol
SMILESCC1(CN2CCCC(CO)C2)CCOCC1
InChIInChI=1S/C13H25NO2/c1-13(4-7-16-8-5-13)11-14-6-2-3-12(9-14)10-15/h12,15H,2-11H2,1H3
InChIKeyGDEDQDCEDBMMCY-UHFFFAOYSA-N
XLogP1.51
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-[(4-methyloxan-4-yl)methyl]piperidin-3-yl]methanol with MolForge

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

Launch Full Analysis

Related Compounds

[1-[[3-(hydroxymethyl)oxolan-3-yl]methyl]piperidin-3-yl]methanol
CID 62270528
[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methanol;hydrochloride
CID 120897177
[4-[(4-methyloxan-4-yl)methyl]morpholin-2-yl]methanol
CID 104585572
[1-(oxan-4-ylmethyl)piperidin-3-yl]methanol
CID 62387002
3-ethyl-1-[(4-methylpiperidin-4-yl)methyl]piperidine
CID 63122767
1-[(4-methyloxan-4-yl)methyl]piperidin-4-ol
CID 104585530
[(3S)-1-ethylpiperidin-3-yl]methanol
CID 26722496
1-[(3-methyloxolan-3-yl)methyl]pyrrolidin-3-amine
CID 131219232
4-[[(3R)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methyl]morpholine;hydrochloride
CID 120905741
[4-[(3-methylpiperidin-1-yl)methyl]oxan-4-yl]methanol
CID 62391715
4-[(3-ethylpiperidin-1-yl)methyl]oxane-4-carbaldehyde
CID 55066134
[1-[[1-(hydroxymethyl)cyclopentyl]methyl]pyrrolidin-3-yl]methanol
CID 112629225

Frequently Asked Questions

What is the IUPAC name of [1-[(4-methyloxan-4-yl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[(4-methyloxan-4-yl)methyl]piperidin-3-yl]methanol (CID 104585504) is [1-[(4-methyloxan-4-yl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[(4-methyloxan-4-yl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[(4-methyloxan-4-yl)methyl]piperidin-3-yl]methanol is CC1(CN2CCCC(CO)C2)CCOCC1.
What is the InChIKey of [1-[(4-methyloxan-4-yl)methyl]piperidin-3-yl]methanol?
The InChIKey is GDEDQDCEDBMMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-13(4-7-16-8-5-13)11-14-6-2-3-12(9-14)10-15/h12,15H,2-11H2,1H3.
What are the key properties of [1-[(4-methyloxan-4-yl)methyl]piperidin-3-yl]methanol?
[1-[(4-methyloxan-4-yl)methyl]piperidin-3-yl]methanol has a molecular weight of 227.35 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-methyloxan-4-yl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 104585504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).