[3,3-dimethyl-1-(oxolan-2-ylmethyl)piperidin-4-yl]methanol

C13H25NO2 — CID 117024917

IUPAC[3,3-dimethyl-1-(oxolan-2-ylmethyl)piperidin-4-yl]methanol
SMILESCC1(C)CN(CC2CCCO2)CCC1CO
InChIInChI=1S/C13H25NO2/c1-13(2)10-14(6-5-11(13)9-15)8-12-4-3-7-16-12/h11-12,15H,3-10H2,1-2H3
InChIKeyWVYTZUFLGSFFOI-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.51
Rot. Bonds3

About [3,3-dimethyl-1-(oxolan-2-ylmethyl)piperidin-4-yl]methanol

[3,3-dimethyl-1-(oxolan-2-ylmethyl)piperidin-4-yl]methanol (PubChem CID 117024917) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is [3,3-dimethyl-1-(oxolan-2-ylmethyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[3,3-dimethyl-1-(oxolan-2-ylmethyl)piperidin-4-yl]methanol
PubChem CID117024917
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name[3,3-dimethyl-1-(oxolan-2-ylmethyl)piperidin-4-yl]methanol
SMILESCC1(C)CN(CC2CCCO2)CCC1CO
InChIInChI=1S/C13H25NO2/c1-13(2)10-14(6-5-11(13)9-15)8-12-4-3-7-16-12/h11-12,15H,3-10H2,1-2H3
InChIKeyWVYTZUFLGSFFOI-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

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Related Compounds

3,3-dimethyl-1-(oxolan-2-ylmethyl)piperazine
CID 64834436
2-[1-(oxolan-2-ylmethyl)piperidin-4-yl]ethanol
CID 117003496
N-methyl-1-[3-methyl-1-(oxolan-2-ylmethyl)pyrrolidin-3-yl]methanamine
CID 106318686
2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethanol
CID 94190741
1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 23402911
2-[2,2-dimethyl-1-(oxolan-2-ylmethyl)piperidin-3-yl]ethanol
CID 117019517
4-(oxolan-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 102567449
methanol;[(2S)-oxolan-2-yl]methanol
CID 144618761
3-cyclopropyl-3-methyl-1-(oxan-2-ylmethyl)-1,4-diazepane
CID 64869910
1-(iodomethyl)-4-(oxolan-2-ylmethyl)piperazine
CID 163911646
4,4-dimethyl-1-(oxolan-2-ylmethyl)piperidin-3-one
CID 117025156
[(2S)-1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 112734020

Frequently Asked Questions

What is the IUPAC name of [3,3-dimethyl-1-(oxolan-2-ylmethyl)piperidin-4-yl]methanol?
The IUPAC name of [3,3-dimethyl-1-(oxolan-2-ylmethyl)piperidin-4-yl]methanol (CID 117024917) is [3,3-dimethyl-1-(oxolan-2-ylmethyl)piperidin-4-yl]methanol.
What is the SMILES notation for [3,3-dimethyl-1-(oxolan-2-ylmethyl)piperidin-4-yl]methanol?
The canonical SMILES for [3,3-dimethyl-1-(oxolan-2-ylmethyl)piperidin-4-yl]methanol is CC1(C)CN(CC2CCCO2)CCC1CO.
What is the InChIKey of [3,3-dimethyl-1-(oxolan-2-ylmethyl)piperidin-4-yl]methanol?
The InChIKey is WVYTZUFLGSFFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-13(2)10-14(6-5-11(13)9-15)8-12-4-3-7-16-12/h11-12,15H,3-10H2,1-2H3.
What are the key properties of [3,3-dimethyl-1-(oxolan-2-ylmethyl)piperidin-4-yl]methanol?
[3,3-dimethyl-1-(oxolan-2-ylmethyl)piperidin-4-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 [3,3-dimethyl-1-(oxolan-2-ylmethyl)piperidin-4-yl]methanol is sourced from PubChem (CID 117024917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).