4-(2-methylpropyl)-1-(oxolan-2-ylmethyl)piperidine

C14H27NO — CID 59001022

IUPAC4-(2-methylpropyl)-1-(oxolan-2-ylmethyl)piperidine
SMILESCC(C)CC1CCN(CC2CCCO2)CC1
InChIInChI=1S/C14H27NO/c1-12(2)10-13-5-7-15(8-6-13)11-14-4-3-9-16-14/h12-14H,3-11H2,1-2H3
InChIKeyZHLGOVJCNYRKBP-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.92
Rot. Bonds4

About 4-(2-methylpropyl)-1-(oxolan-2-ylmethyl)piperidine

4-(2-methylpropyl)-1-(oxolan-2-ylmethyl)piperidine (PubChem CID 59001022) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 4-(2-methylpropyl)-1-(oxolan-2-ylmethyl)piperidine.

Molecular Properties

Compound Name4-(2-methylpropyl)-1-(oxolan-2-ylmethyl)piperidine
PubChem CID59001022
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name4-(2-methylpropyl)-1-(oxolan-2-ylmethyl)piperidine
SMILESCC(C)CC1CCN(CC2CCCO2)CC1
InChIInChI=1S/C14H27NO/c1-12(2)10-13-5-7-15(8-6-13)11-14-4-3-9-16-14/h12-14H,3-11H2,1-2H3
InChIKeyZHLGOVJCNYRKBP-UHFFFAOYSA-N
XLogP2.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(2-methylpropyl)-1-(oxolan-2-ylmethyl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-1-(oxolan-2-ylmethyl)piperidine?
The IUPAC name of 4-(2-methylpropyl)-1-(oxolan-2-ylmethyl)piperidine (CID 59001022) is 4-(2-methylpropyl)-1-(oxolan-2-ylmethyl)piperidine.
What is the SMILES notation for 4-(2-methylpropyl)-1-(oxolan-2-ylmethyl)piperidine?
The canonical SMILES for 4-(2-methylpropyl)-1-(oxolan-2-ylmethyl)piperidine is CC(C)CC1CCN(CC2CCCO2)CC1.
What is the InChIKey of 4-(2-methylpropyl)-1-(oxolan-2-ylmethyl)piperidine?
The InChIKey is ZHLGOVJCNYRKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-12(2)10-13-5-7-15(8-6-13)11-14-4-3-9-16-14/h12-14H,3-11H2,1-2H3.
What are the key properties of 4-(2-methylpropyl)-1-(oxolan-2-ylmethyl)piperidine?
4-(2-methylpropyl)-1-(oxolan-2-ylmethyl)piperidine has a molecular weight of 225.38 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-1-(oxolan-2-ylmethyl)piperidine is sourced from PubChem (CID 59001022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).