3-methyl-1-(oxolan-3-ylmethyl)piperidine

C11H21NO — CID 77147821

IUPAC3-methyl-1-(oxolan-3-ylmethyl)piperidine
SMILESCC1CCCN(CC2CCOC2)C1
InChIInChI=1S/C11H21NO/c1-10-3-2-5-12(7-10)8-11-4-6-13-9-11/h10-11H,2-9H2,1H3
InChIKeyKKPHLDOLZSRHOD-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.75
Rot. Bonds2

About 3-methyl-1-(oxolan-3-ylmethyl)piperidine

3-methyl-1-(oxolan-3-ylmethyl)piperidine (PubChem CID 77147821) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-methyl-1-(oxolan-3-ylmethyl)piperidine.

Molecular Properties

Compound Name3-methyl-1-(oxolan-3-ylmethyl)piperidine
PubChem CID77147821
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-methyl-1-(oxolan-3-ylmethyl)piperidine
SMILESCC1CCCN(CC2CCOC2)C1
InChIInChI=1S/C11H21NO/c1-10-3-2-5-12(7-10)8-11-4-6-13-9-11/h10-11H,2-9H2,1H3
InChIKeyKKPHLDOLZSRHOD-UHFFFAOYSA-N
XLogP1.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(oxolan-3-ylmethyl)pyrrolidine
CID 66580688
N-methyl-1-[1-(oxolan-3-ylmethyl)piperidin-3-yl]methanamine
CID 61204128
6-methyl-1-(oxolan-3-ylmethyl)-1,4-diazepane
CID 62824558
3-methyl-1-(oxolan-3-ylmethyl)piperidin-4-ol
CID 114502613
1-(oxolan-3-ylmethyl)piperidine-3-carbaldehyde
CID 62655300
2-[1-(oxolan-3-ylmethyl)piperidin-3-yl]acetic acid
CID 62690444
1-(oxan-3-ylmethyl)piperidin-3-amine
CID 63741135
3-methyl-1-(oxan-4-ylmethyl)-1,5-diazocane
CID 63712685
2-methoxy-N-[[1-(oxolan-3-ylmethyl)piperidin-3-yl]methyl]ethanamine
CID 62593612
4,6-dimethyl-1-(oxolan-3-ylmethyl)-1,5-diazocane
CID 62824730
1-(oxan-3-ylmethyl)pyrrolidine
CID 91805344
(3S)-3-methyl-1-[[(3R)-pyrrolidin-3-yl]methyl]piperidine
CID 86323532

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(oxolan-3-ylmethyl)piperidine?
The IUPAC name of 3-methyl-1-(oxolan-3-ylmethyl)piperidine (CID 77147821) is 3-methyl-1-(oxolan-3-ylmethyl)piperidine.
What is the SMILES notation for 3-methyl-1-(oxolan-3-ylmethyl)piperidine?
The canonical SMILES for 3-methyl-1-(oxolan-3-ylmethyl)piperidine is CC1CCCN(CC2CCOC2)C1.
What is the InChIKey of 3-methyl-1-(oxolan-3-ylmethyl)piperidine?
The InChIKey is KKPHLDOLZSRHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-10-3-2-5-12(7-10)8-11-4-6-13-9-11/h10-11H,2-9H2,1H3.
What are the key properties of 3-methyl-1-(oxolan-3-ylmethyl)piperidine?
3-methyl-1-(oxolan-3-ylmethyl)piperidine has a molecular weight of 183.29 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(oxolan-3-ylmethyl)piperidine is sourced from PubChem (CID 77147821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).