[1-[[3-(hydroxymethyl)oxolan-3-yl]methyl]piperidin-3-yl]methanol

C12H23NO3 — CID 62270528

IUPAC[1-[[3-(hydroxymethyl)oxolan-3-yl]methyl]piperidin-3-yl]methanol
SMILESOCC1CCCN(CC2(CO)CCOC2)C1
InChIInChI=1S/C12H23NO3/c14-7-11-2-1-4-13(6-11)8-12(9-15)3-5-16-10-12/h11,14-15H,1-10H2
InChIKeyNVGUTVHFGOVLGY-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.09
Rot. Bonds4

About [1-[[3-(hydroxymethyl)oxolan-3-yl]methyl]piperidin-3-yl]methanol

[1-[[3-(hydroxymethyl)oxolan-3-yl]methyl]piperidin-3-yl]methanol (PubChem CID 62270528) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is [1-[[3-(hydroxymethyl)oxolan-3-yl]methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[[3-(hydroxymethyl)oxolan-3-yl]methyl]piperidin-3-yl]methanol
PubChem CID62270528
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name[1-[[3-(hydroxymethyl)oxolan-3-yl]methyl]piperidin-3-yl]methanol
SMILESOCC1CCCN(CC2(CO)CCOC2)C1
InChIInChI=1S/C12H23NO3/c14-7-11-2-1-4-13(6-11)8-12(9-15)3-5-16-10-12/h11,14-15H,1-10H2
InChIKeyNVGUTVHFGOVLGY-UHFFFAOYSA-N
XLogP0.09
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[[1-(hydroxymethyl)cyclopentyl]methyl]pyrrolidin-3-yl]methanol
CID 112629225
[1-[(4-methyloxan-4-yl)methyl]piperidin-3-yl]methanol
CID 104585504
2-[1-[[3-(methylaminomethyl)oxolan-3-yl]methyl]piperidin-3-yl]ethanol
CID 107228855
[3-[(3,4-dimethylpiperazin-1-yl)methyl]oxolan-3-yl]methanol
CID 63620081
1-[[3-(hydroxymethyl)oxan-3-yl]methyl]pyrrolidin-3-ol
CID 63746761
[4-[(3-methylpiperidin-1-yl)methyl]oxan-4-yl]methanol
CID 62391715
N-[[3-[(3-ethylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 62256133
[3-(cyclobutylmethyl)oxolan-3-yl]methanol
CID 130135661
[1-(oxan-4-ylmethyl)piperidin-3-yl]methanol
CID 62387002
[3-(cyclohexylmethyl)oxolan-3-yl]methanol
CID 66060066
3-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]oxolane-3-carbaldehyde
CID 112628863
[3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]oxan-3-yl]methanol
CID 102967531

Frequently Asked Questions

What is the IUPAC name of [1-[[3-(hydroxymethyl)oxolan-3-yl]methyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[[3-(hydroxymethyl)oxolan-3-yl]methyl]piperidin-3-yl]methanol (CID 62270528) is [1-[[3-(hydroxymethyl)oxolan-3-yl]methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[[3-(hydroxymethyl)oxolan-3-yl]methyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[[3-(hydroxymethyl)oxolan-3-yl]methyl]piperidin-3-yl]methanol is OCC1CCCN(CC2(CO)CCOC2)C1.
What is the InChIKey of [1-[[3-(hydroxymethyl)oxolan-3-yl]methyl]piperidin-3-yl]methanol?
The InChIKey is NVGUTVHFGOVLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c14-7-11-2-1-4-13(6-11)8-12(9-15)3-5-16-10-12/h11,14-15H,1-10H2.
What are the key properties of [1-[[3-(hydroxymethyl)oxolan-3-yl]methyl]piperidin-3-yl]methanol?
[1-[[3-(hydroxymethyl)oxolan-3-yl]methyl]piperidin-3-yl]methanol has a molecular weight of 229.32 g/mol, XLogP of 0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3-(hydroxymethyl)oxolan-3-yl]methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 62270528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).