1-(2-methylpropyl)-4-(oxan-4-yl)piperidine

C14H27NO — CID 59603409

IUPAC1-(2-methylpropyl)-4-(oxan-4-yl)piperidine
SMILESCC(C)CN1CCC(C2CCOCC2)CC1
InChIInChI=1S/C14H27NO/c1-12(2)11-15-7-3-13(4-8-15)14-5-9-16-10-6-14/h12-14H,3-11H2,1-2H3
InChIKeyMZAQINRKMDGJNN-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.78
Rot. Bonds3

About 1-(2-methylpropyl)-4-(oxan-4-yl)piperidine

1-(2-methylpropyl)-4-(oxan-4-yl)piperidine (PubChem CID 59603409) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-(2-methylpropyl)-4-(oxan-4-yl)piperidine.

Molecular Properties

Compound Name1-(2-methylpropyl)-4-(oxan-4-yl)piperidine
PubChem CID59603409
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-(2-methylpropyl)-4-(oxan-4-yl)piperidine
SMILESCC(C)CN1CCC(C2CCOCC2)CC1
InChIInChI=1S/C14H27NO/c1-12(2)11-15-7-3-13(4-8-15)14-5-9-16-10-6-14/h12-14H,3-11H2,1-2H3
InChIKeyMZAQINRKMDGJNN-UHFFFAOYSA-N
XLogP2.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-[4-(oxan-4-yl)piperidin-1-yl]butanenitrile
CID 98562229
N-methyl-4-(oxan-4-yl)-N-(oxan-4-ylmethyl)butan-1-amine
CID 100703721
1-(3-Fluorooxan-4-yl)-4-propan-2-ylpiperidine
CID 123280602
1-[(2,2-Dimethyloxan-4-yl)methyl]-4-fluoropiperidine
CID 141160118
4-Ethyl-4-fluoro-1-(oxan-4-ylmethyl)piperidine
CID 144714352
2-(3-Fluorobutyl)-9-oxa-2-azaspiro[5.5]undecane
CID 126792499
2-[(3R)-3-fluorobutyl]-9-oxa-2-azaspiro[5.5]undecane
CID 129348510
2-[(3S)-3-fluorobutyl]-9-oxa-2-azaspiro[5.5]undecane
CID 129348511
4-(Oxan-4-yl)piperidine
CID 17781710
3-(2-Methoxyethyl)-1-methylpiperidine
CID 17976531
4-Methyl-1-(oxan-4-yl)piperidine
CID 20758866
4-(3-Propoxypropyl)-1-propylpiperidine
CID 53765603

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-4-(oxan-4-yl)piperidine?
The IUPAC name of 1-(2-methylpropyl)-4-(oxan-4-yl)piperidine (CID 59603409) is 1-(2-methylpropyl)-4-(oxan-4-yl)piperidine.
What is the SMILES notation for 1-(2-methylpropyl)-4-(oxan-4-yl)piperidine?
The canonical SMILES for 1-(2-methylpropyl)-4-(oxan-4-yl)piperidine is CC(C)CN1CCC(C2CCOCC2)CC1.
What is the InChIKey of 1-(2-methylpropyl)-4-(oxan-4-yl)piperidine?
The InChIKey is MZAQINRKMDGJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-12(2)11-15-7-3-13(4-8-15)14-5-9-16-10-6-14/h12-14H,3-11H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-4-(oxan-4-yl)piperidine?
1-(2-methylpropyl)-4-(oxan-4-yl)piperidine has a molecular weight of 225.38 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-4-(oxan-4-yl)piperidine is sourced from PubChem (CID 59603409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).