2-(3-piperidin-1-ylpropyl)-1,3-benzoxazole

C15H20N2O — CID 139877726

IUPAC2-(3-piperidin-1-ylpropyl)-1,3-benzoxazole
SMILESc1ccc2oc(CCCN3CCCCC3)nc2c1
InChIInChI=1S/C15H20N2O/c1-4-10-17(11-5-1)12-6-9-15-16-13-7-2-3-8-14(13)18-15/h2-3,7-8H,1,4-6,9-12H2
InChIKeyQPQDVYXVIQEYJH-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.25
Rot. Bonds4

About 2-(3-piperidin-1-ylpropyl)-1,3-benzoxazole

2-(3-piperidin-1-ylpropyl)-1,3-benzoxazole (PubChem CID 139877726) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-(3-piperidin-1-ylpropyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(3-piperidin-1-ylpropyl)-1,3-benzoxazole
PubChem CID139877726
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-(3-piperidin-1-ylpropyl)-1,3-benzoxazole
SMILESc1ccc2oc(CCCN3CCCCC3)nc2c1
InChIInChI=1S/C15H20N2O/c1-4-10-17(11-5-1)12-6-9-15-16-13-7-2-3-8-14(13)18-15/h2-3,7-8H,1,4-6,9-12H2
InChIKeyQPQDVYXVIQEYJH-UHFFFAOYSA-N
XLogP3.25
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(4-methylpiperidin-1-yl)propyl]-1,3-benzoxazole
CID 22989639
(2R)-1-[4-[3-(1,3-benzoxazol-2-yl)propyl]piperazin-1-yl]propan-2-ol
CID 95309136
2-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-1,3-benzoxazole
CID 90644065
2-[3-[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]propyl]-1,3-benzoxazole;hydroiodide
CID 126770961
2-[3-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]propyl]-1,3-benzoxazole
CID 126779619
2-[3-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1,3-benzoxazole
CID 126788904
2-[1-[3-(1,3-benzoxazol-2-yl)propyl]piperidin-2-yl]ethanol
CID 111111640
2-pentyl-1,3-benzoxazole
CID 23425
(2R)-1-[(2R)-4-[3-(1,3-benzoxazol-2-yl)propyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 95978172
(2R)-1-[(2S)-4-[3-(1,3-benzoxazol-2-yl)propyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 95978173
3-[(2R)-1-[3-(1,3-benzoxazol-2-yl)propyl]-2-methylpyrrolidin-2-yl]propan-1-ol
CID 97253496
N-(2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-2-amine
CID 55023477

Frequently Asked Questions

What is the IUPAC name of 2-(3-piperidin-1-ylpropyl)-1,3-benzoxazole?
The IUPAC name of 2-(3-piperidin-1-ylpropyl)-1,3-benzoxazole (CID 139877726) is 2-(3-piperidin-1-ylpropyl)-1,3-benzoxazole.
What is the SMILES notation for 2-(3-piperidin-1-ylpropyl)-1,3-benzoxazole?
The canonical SMILES for 2-(3-piperidin-1-ylpropyl)-1,3-benzoxazole is c1ccc2oc(CCCN3CCCCC3)nc2c1.
What is the InChIKey of 2-(3-piperidin-1-ylpropyl)-1,3-benzoxazole?
The InChIKey is QPQDVYXVIQEYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-4-10-17(11-5-1)12-6-9-15-16-13-7-2-3-8-14(13)18-15/h2-3,7-8H,1,4-6,9-12H2.
What are the key properties of 2-(3-piperidin-1-ylpropyl)-1,3-benzoxazole?
2-(3-piperidin-1-ylpropyl)-1,3-benzoxazole has a molecular weight of 244.34 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-piperidin-1-ylpropyl)-1,3-benzoxazole is sourced from PubChem (CID 139877726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).