3-(1-benzylpiperidin-4-yl)-1,2-benzoxazole;ethane

C23H32N2O — CID 91553600

IUPAC3-(1-benzylpiperidin-4-yl)-1,2-benzoxazole;ethane
SMILESCC.CC.c1ccc(CN2CCC(c3noc4ccccc34)CC2)cc1
InChIInChI=1S/C19H20N2O.2C2H6/c1-2-6-15(7-3-1)14-21-12-10-16(11-13-21)19-17-8-4-5-9-18(17)22-20-19;2*1-2/h1-9,16H,10-14H2;2*1-2H3
InChIKeyIFJDPVSYPUXXKZ-UHFFFAOYSA-N
MW352.52 g/mol
LogP6.26
Rot. Bonds3

About 3-(1-benzylpiperidin-4-yl)-1,2-benzoxazole;ethane

3-(1-benzylpiperidin-4-yl)-1,2-benzoxazole;ethane (PubChem CID 91553600) has the molecular formula C23H32N2O and a molecular weight of 352.52 g/mol. Its IUPAC name is 3-(1-benzylpiperidin-4-yl)-1,2-benzoxazole;ethane.

Molecular Properties

Compound Name3-(1-benzylpiperidin-4-yl)-1,2-benzoxazole;ethane
PubChem CID91553600
Molecular FormulaC23H32N2O
Molecular Weight352.52 g/mol
Exact Mass352.25
IUPAC Name3-(1-benzylpiperidin-4-yl)-1,2-benzoxazole;ethane
SMILESCC.CC.c1ccc(CN2CCC(c3noc4ccccc34)CC2)cc1
InChIInChI=1S/C19H20N2O.2C2H6/c1-2-6-15(7-3-1)14-21-12-10-16(11-13-21)19-17-8-4-5-9-18(17)22-20-19;2*1-2/h1-9,16H,10-14H2;2*1-2H3
InChIKeyIFJDPVSYPUXXKZ-UHFFFAOYSA-N
XLogP6.26
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.52
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(1-benzylpiperidin-4-yl)-1,2-benzoxazole;ethane with MolForge

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

Launch Full Analysis

Related Compounds

(E)-but-2-enedioic acid;3-[1-(2-phenylethyl)piperidin-4-yl]-1,2-benzoxazole
CID 174292430
3-(1-prop-2-enylpiperidin-4-yl)-1,2-benzoxazole;hydrochloride
CID 13076451
3-[[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]pentane-2,4-dione
CID 20707055
4-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]-2,2-dimethylbutanoic acid
CID 15941056
2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]-N,N-diethylethanamine;bis(but-2-enedioic acid)
CID 70410215
3-[1-(3-pyrimidin-2-yloxypropyl)piperidin-4-yl]-1,2-benzoxazole
CID 142644427
3-(1-benzylpiperidin-4-yl)-1-ethylindazole
CID 67627191
[4-(1,2-benzoxazol-3-yl)piperidin-1-yl] benzoate
CID 13078339
3-[2-(4-benzylpiperazin-1-yl)ethyl]-1,2-benzoxazole
CID 18377472
3-[(E)-2-(1-benzylpiperidin-4-yl)ethenyl]-1,2-benzoxazole;(Z)-but-2-enedioic acid
CID 70129743
3-piperidin-4-yl-1,2-benzoxazole;hydrochloride
CID 13076437
N-[3-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]-N-ethyl-1-hydroxypropane-2-sulfinamide
CID 167189406

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylpiperidin-4-yl)-1,2-benzoxazole;ethane?
The IUPAC name of 3-(1-benzylpiperidin-4-yl)-1,2-benzoxazole;ethane (CID 91553600) is 3-(1-benzylpiperidin-4-yl)-1,2-benzoxazole;ethane.
What is the SMILES notation for 3-(1-benzylpiperidin-4-yl)-1,2-benzoxazole;ethane?
The canonical SMILES for 3-(1-benzylpiperidin-4-yl)-1,2-benzoxazole;ethane is CC.CC.c1ccc(CN2CCC(c3noc4ccccc34)CC2)cc1.
What is the InChIKey of 3-(1-benzylpiperidin-4-yl)-1,2-benzoxazole;ethane?
The InChIKey is IFJDPVSYPUXXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O.2C2H6/c1-2-6-15(7-3-1)14-21-12-10-16(11-13-21)19-17-8-4-5-9-18(17)22-20-19;2*1-2/h1-9,16H,10-14H2;2*1-2H3.
What are the key properties of 3-(1-benzylpiperidin-4-yl)-1,2-benzoxazole;ethane?
3-(1-benzylpiperidin-4-yl)-1,2-benzoxazole;ethane has a molecular weight of 352.52 g/mol, XLogP of 6.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylpiperidin-4-yl)-1,2-benzoxazole;ethane is sourced from PubChem (CID 91553600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).