3-methyloxane;1-methylpiperidine

C12H25NO — CID 142590694

IUPAC3-methyloxane;1-methylpiperidine
SMILESCC1CCCOC1.CN1CCCCC1
InChIInChI=1S/C6H13N.C6H12O/c1-7-5-3-2-4-6-7;1-6-3-2-4-7-5-6/h2-6H2,1H3;6H,2-5H2,1H3
InChIKeyZFVKMHTUGMJJOZ-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.54
Rot. Bonds

About 3-methyloxane;1-methylpiperidine

3-methyloxane;1-methylpiperidine (PubChem CID 142590694) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 3-methyloxane;1-methylpiperidine.

Molecular Properties

Compound Name3-methyloxane;1-methylpiperidine
PubChem CID142590694
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name3-methyloxane;1-methylpiperidine
SMILESCC1CCCOC1.CN1CCCCC1
InChIInChI=1S/C6H13N.C6H12O/c1-7-5-3-2-4-6-7;1-6-3-2-4-7-5-6/h2-6H2,1H3;6H,2-5H2,1H3
InChIKeyZFVKMHTUGMJJOZ-UHFFFAOYSA-N
XLogP2.54
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Fluoro-3-methyl-1-(oxan-3-ylmethyl)piperidine
CID 126790286
1-(3-Fluorooxan-4-yl)-4-methylpiperidine
CID 121366966
1-(3-Fluorooxan-4-yl)-4-propan-2-ylpiperidine
CID 123280602
4-Ethyl-4-fluoro-1-(oxan-4-ylmethyl)piperidine
CID 144714352
1-[(3S,4S)-3-fluorooxan-4-yl]-4-methylpiperidine
CID 145698218
1-[(3R,4R)-3-fluorooxan-4-yl]-4-methylpiperidine
CID 166799716
(3R,4R)-3-fluoro-4-methyl-1-(oxan-4-yl)piperidine
CID 172367383
(3R,5R)-3-fluoro-5-methyl-1-(oxan-4-yl)piperidine
CID 176945917
7-(3-Butoxypropyl)-3-oxa-7-azabicyclo[3.3.1]nonane
CID 129784657
4-(Fluoromethyl)-1-(oxan-3-ylmethyl)piperidine
CID 126793863
(3S)-3-fluoro-3-methyl-1-[[(3R)-oxan-3-yl]methyl]piperidine
CID 129349321
(3R)-3-fluoro-3-methyl-1-[[(3S)-oxan-3-yl]methyl]piperidine
CID 129349322

Frequently Asked Questions

What is the IUPAC name of 3-methyloxane;1-methylpiperidine?
The IUPAC name of 3-methyloxane;1-methylpiperidine (CID 142590694) is 3-methyloxane;1-methylpiperidine.
What is the SMILES notation for 3-methyloxane;1-methylpiperidine?
The canonical SMILES for 3-methyloxane;1-methylpiperidine is CC1CCCOC1.CN1CCCCC1.
What is the InChIKey of 3-methyloxane;1-methylpiperidine?
The InChIKey is ZFVKMHTUGMJJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C6H12O/c1-7-5-3-2-4-6-7;1-6-3-2-4-7-5-6/h2-6H2,1H3;6H,2-5H2,1H3.
What are the key properties of 3-methyloxane;1-methylpiperidine?
3-methyloxane;1-methylpiperidine has a molecular weight of 199.34 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyloxane;1-methylpiperidine is sourced from PubChem (CID 142590694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).