4-(2-methylpropyl)-1-(oxetan-3-yl)piperidine

C12H23NO — CID 118544244

IUPAC4-(2-methylpropyl)-1-(oxetan-3-yl)piperidine
SMILESCC(C)CC1CCN(C2COC2)CC1
InChIInChI=1S/C12H23NO/c1-10(2)7-11-3-5-13(6-4-11)12-8-14-9-12/h10-12H,3-9H2,1-2H3
InChIKeySARPVDTWZTYRHP-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.14
Rot. Bonds3

About 4-(2-methylpropyl)-1-(oxetan-3-yl)piperidine

4-(2-methylpropyl)-1-(oxetan-3-yl)piperidine (PubChem CID 118544244) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 4-(2-methylpropyl)-1-(oxetan-3-yl)piperidine.

Molecular Properties

Compound Name4-(2-methylpropyl)-1-(oxetan-3-yl)piperidine
PubChem CID118544244
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name4-(2-methylpropyl)-1-(oxetan-3-yl)piperidine
SMILESCC(C)CC1CCN(C2COC2)CC1
InChIInChI=1S/C12H23NO/c1-10(2)7-11-3-5-13(6-4-11)12-8-14-9-12/h10-12H,3-9H2,1-2H3
InChIKeySARPVDTWZTYRHP-UHFFFAOYSA-N
XLogP2.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-1-(oxetan-3-yl)piperidine?
The IUPAC name of 4-(2-methylpropyl)-1-(oxetan-3-yl)piperidine (CID 118544244) is 4-(2-methylpropyl)-1-(oxetan-3-yl)piperidine.
What is the SMILES notation for 4-(2-methylpropyl)-1-(oxetan-3-yl)piperidine?
The canonical SMILES for 4-(2-methylpropyl)-1-(oxetan-3-yl)piperidine is CC(C)CC1CCN(C2COC2)CC1.
What is the InChIKey of 4-(2-methylpropyl)-1-(oxetan-3-yl)piperidine?
The InChIKey is SARPVDTWZTYRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10(2)7-11-3-5-13(6-4-11)12-8-14-9-12/h10-12H,3-9H2,1-2H3.
What are the key properties of 4-(2-methylpropyl)-1-(oxetan-3-yl)piperidine?
4-(2-methylpropyl)-1-(oxetan-3-yl)piperidine has a molecular weight of 197.32 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-1-(oxetan-3-yl)piperidine is sourced from PubChem (CID 118544244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).