2-[3-(4-tert-butylpiperidin-1-yl)oxetan-3-yl]acetonitrile

C14H24N2O — CID 58394618

IUPAC2-[3-(4-tert-butylpiperidin-1-yl)oxetan-3-yl]acetonitrile
SMILESCC(C)(C)C1CCN(C2(CC#N)COC2)CC1
InChIInChI=1S/C14H24N2O/c1-13(2,3)12-4-8-16(9-5-12)14(6-7-15)10-17-11-14/h12H,4-6,8-11H2,1-3H3
InChIKeyBDXAIBKLTAOVFJ-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.43
Rot. Bonds2

About 2-[3-(4-tert-butylpiperidin-1-yl)oxetan-3-yl]acetonitrile

2-[3-(4-tert-butylpiperidin-1-yl)oxetan-3-yl]acetonitrile (PubChem CID 58394618) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-[3-(4-tert-butylpiperidin-1-yl)oxetan-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[3-(4-tert-butylpiperidin-1-yl)oxetan-3-yl]acetonitrile
PubChem CID58394618
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-[3-(4-tert-butylpiperidin-1-yl)oxetan-3-yl]acetonitrile
SMILESCC(C)(C)C1CCN(C2(CC#N)COC2)CC1
InChIInChI=1S/C14H24N2O/c1-13(2,3)12-4-8-16(9-5-12)14(6-7-15)10-17-11-14/h12H,4-6,8-11H2,1-3H3
InChIKeyBDXAIBKLTAOVFJ-UHFFFAOYSA-N
XLogP2.43
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[3-(4-tert-butylpiperidin-1-yl)oxetan-3-yl]acetonitrile 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 2-[3-(4-tert-butylpiperidin-1-yl)oxetan-3-yl]acetonitrile?
The IUPAC name of 2-[3-(4-tert-butylpiperidin-1-yl)oxetan-3-yl]acetonitrile (CID 58394618) is 2-[3-(4-tert-butylpiperidin-1-yl)oxetan-3-yl]acetonitrile.
What is the SMILES notation for 2-[3-(4-tert-butylpiperidin-1-yl)oxetan-3-yl]acetonitrile?
The canonical SMILES for 2-[3-(4-tert-butylpiperidin-1-yl)oxetan-3-yl]acetonitrile is CC(C)(C)C1CCN(C2(CC#N)COC2)CC1.
What is the InChIKey of 2-[3-(4-tert-butylpiperidin-1-yl)oxetan-3-yl]acetonitrile?
The InChIKey is BDXAIBKLTAOVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-13(2,3)12-4-8-16(9-5-12)14(6-7-15)10-17-11-14/h12H,4-6,8-11H2,1-3H3.
What are the key properties of 2-[3-(4-tert-butylpiperidin-1-yl)oxetan-3-yl]acetonitrile?
2-[3-(4-tert-butylpiperidin-1-yl)oxetan-3-yl]acetonitrile has a molecular weight of 236.36 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-tert-butylpiperidin-1-yl)oxetan-3-yl]acetonitrile is sourced from PubChem (CID 58394618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).