3-methyl-2-[2-(oxolan-2-yl)ethyl]piperidine

C12H23NO — CID 106779827

IUPAC3-methyl-2-[2-(oxolan-2-yl)ethyl]piperidine
SMILESCC1CCCNC1CCC1CCCO1
InChIInChI=1S/C12H23NO/c1-10-4-2-8-13-12(10)7-6-11-5-3-9-14-11/h10-13H,2-9H2,1H3
InChIKeyGJXUAFYMPHCTHQ-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.33
Rot. Bonds3

About 3-methyl-2-[2-(oxolan-2-yl)ethyl]piperidine

3-methyl-2-[2-(oxolan-2-yl)ethyl]piperidine (PubChem CID 106779827) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-methyl-2-[2-(oxolan-2-yl)ethyl]piperidine.

Molecular Properties

Compound Name3-methyl-2-[2-(oxolan-2-yl)ethyl]piperidine
PubChem CID106779827
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-methyl-2-[2-(oxolan-2-yl)ethyl]piperidine
SMILESCC1CCCNC1CCC1CCCO1
InChIInChI=1S/C12H23NO/c1-10-4-2-8-13-12(10)7-6-11-5-3-9-14-11/h10-13H,2-9H2,1H3
InChIKeyGJXUAFYMPHCTHQ-UHFFFAOYSA-N
XLogP2.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(oxolan-2-yl)ethyl]azepane
CID 65165343
3-(3-methylpiperidin-2-yl)propan-1-ol;hydrochloride
CID 90668992
(3-methylpiperidin-2-yl)methanol
CID 19898861
2-(3-methylpiperidin-2-yl)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 107147559
2-methyl-1-[2-(oxolan-2-yl)ethyl]cyclobutan-1-ol
CID 130554995
2-[3-(oxolan-2-yl)propyl]azepane
CID 65165342
3-[2-(oxolan-2-yl)ethyl]pyrrolidine
CID 104680566
(2S,3R)-2,3-dimethyloxane
CID 121479351
1-(2-methylpyrrolidin-3-yl)-3-(oxolan-2-yl)propan-1-one
CID 116592114
3-methyl-1-(oxolan-2-ylmethyl)-1,4-diazepane
CID 64858824
2-[2-[2-(oxolan-2-yl)ethoxy]ethyl]piperidine
CID 65163156
2-[2-(3-bromo-2-methylcyclopentyl)ethyl]oxolane
CID 65165540

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[2-(oxolan-2-yl)ethyl]piperidine?
The IUPAC name of 3-methyl-2-[2-(oxolan-2-yl)ethyl]piperidine (CID 106779827) is 3-methyl-2-[2-(oxolan-2-yl)ethyl]piperidine.
What is the SMILES notation for 3-methyl-2-[2-(oxolan-2-yl)ethyl]piperidine?
The canonical SMILES for 3-methyl-2-[2-(oxolan-2-yl)ethyl]piperidine is CC1CCCNC1CCC1CCCO1.
What is the InChIKey of 3-methyl-2-[2-(oxolan-2-yl)ethyl]piperidine?
The InChIKey is GJXUAFYMPHCTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10-4-2-8-13-12(10)7-6-11-5-3-9-14-11/h10-13H,2-9H2,1H3.
What are the key properties of 3-methyl-2-[2-(oxolan-2-yl)ethyl]piperidine?
3-methyl-2-[2-(oxolan-2-yl)ethyl]piperidine has a molecular weight of 197.32 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[2-(oxolan-2-yl)ethyl]piperidine is sourced from PubChem (CID 106779827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).