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

C14H27NO2 — CID 117019517

IUPAC2-[2,2-dimethyl-1-(oxolan-2-ylmethyl)piperidin-3-yl]ethanol
SMILESCC1(C)C(CCO)CCCN1CC1CCCO1
InChIInChI=1S/C14H27NO2/c1-14(2)12(7-9-16)5-3-8-15(14)11-13-6-4-10-17-13/h12-13,16H,3-11H2,1-2H3
InChIKeyPSQDOQVKUBQPMQ-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.04
Rot. Bonds4

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

2-[2,2-dimethyl-1-(oxolan-2-ylmethyl)piperidin-3-yl]ethanol (PubChem CID 117019517) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-[2,2-dimethyl-1-(oxolan-2-ylmethyl)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[2,2-dimethyl-1-(oxolan-2-ylmethyl)piperidin-3-yl]ethanol
PubChem CID117019517
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-[2,2-dimethyl-1-(oxolan-2-ylmethyl)piperidin-3-yl]ethanol
SMILESCC1(C)C(CCO)CCCN1CC1CCCO1
InChIInChI=1S/C14H27NO2/c1-14(2)12(7-9-16)5-3-8-15(14)11-13-6-4-10-17-13/h12-13,16H,3-11H2,1-2H3
InChIKeyPSQDOQVKUBQPMQ-UHFFFAOYSA-N
XLogP2.04
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(oxolan-2-ylmethyl)piperidin-4-yl]ethanol
CID 117003496
[3,3-dimethyl-1-(oxolan-2-ylmethyl)piperidin-4-yl]methanol
CID 117024917
2-(oxolan-2-yl)ethanol;propan-2-one
CID 70356947
2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethanol
CID 94190741
[(2S)-1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 112734020
4,4-dimethyl-5-(oxolan-2-ylmethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66243797
2-methyl-1-(oxolan-2-ylmethyl)pyrrolidin-3-amine
CID 83684198
methanol;[(2S)-oxolan-2-yl]methanol
CID 144618761
2,2-dimethyl-1-(oxan-2-ylmethyl)-5-propan-2-ylpiperazine
CID 64839838
2,3-dimethyl-1-(oxolan-2-ylmethyl)piperidin-4-amine
CID 79397410
(2R)-2-ethyloxolane
CID 641529
1-(iodomethyl)-4-(oxolan-2-ylmethyl)piperazine
CID 163911646

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-dimethyl-1-(oxolan-2-ylmethyl)piperidin-3-yl]ethanol?
The IUPAC name of 2-[2,2-dimethyl-1-(oxolan-2-ylmethyl)piperidin-3-yl]ethanol (CID 117019517) is 2-[2,2-dimethyl-1-(oxolan-2-ylmethyl)piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[2,2-dimethyl-1-(oxolan-2-ylmethyl)piperidin-3-yl]ethanol?
The canonical SMILES for 2-[2,2-dimethyl-1-(oxolan-2-ylmethyl)piperidin-3-yl]ethanol is CC1(C)C(CCO)CCCN1CC1CCCO1.
What is the InChIKey of 2-[2,2-dimethyl-1-(oxolan-2-ylmethyl)piperidin-3-yl]ethanol?
The InChIKey is PSQDOQVKUBQPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-14(2)12(7-9-16)5-3-8-15(14)11-13-6-4-10-17-13/h12-13,16H,3-11H2,1-2H3.
What are the key properties of 2-[2,2-dimethyl-1-(oxolan-2-ylmethyl)piperidin-3-yl]ethanol?
2-[2,2-dimethyl-1-(oxolan-2-ylmethyl)piperidin-3-yl]ethanol has a molecular weight of 241.37 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-dimethyl-1-(oxolan-2-ylmethyl)piperidin-3-yl]ethanol is sourced from PubChem (CID 117019517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).