2-[1-[3-(1,3-benzoxazol-2-yl)propyl]piperidin-2-yl]ethanol

C17H24N2O2 — CID 111111640

IUPAC2-[1-[3-(1,3-benzoxazol-2-yl)propyl]piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1CCCc1nc2ccccc2o1
InChIInChI=1S/C17H24N2O2/c20-13-10-14-6-3-4-11-19(14)12-5-9-17-18-15-7-1-2-8-16(15)21-17/h1-2,7-8,14,20H,3-6,9-13H2
InChIKeyJCSBIOBNYBNPKZ-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.00
Rot. Bonds6

About 2-[1-[3-(1,3-benzoxazol-2-yl)propyl]piperidin-2-yl]ethanol

2-[1-[3-(1,3-benzoxazol-2-yl)propyl]piperidin-2-yl]ethanol (PubChem CID 111111640) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[1-[3-(1,3-benzoxazol-2-yl)propyl]piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[3-(1,3-benzoxazol-2-yl)propyl]piperidin-2-yl]ethanol
PubChem CID111111640
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-[1-[3-(1,3-benzoxazol-2-yl)propyl]piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1CCCc1nc2ccccc2o1
InChIInChI=1S/C17H24N2O2/c20-13-10-14-6-3-4-11-19(14)12-5-9-17-18-15-7-1-2-8-16(15)21-17/h1-2,7-8,14,20H,3-6,9-13H2
InChIKeyJCSBIOBNYBNPKZ-UHFFFAOYSA-N
XLogP3.00
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(1,3-benzoxazol-2-ylmethyl)pyrrolidin-2-yl]propan-1-ol
CID 62467617
2-[3-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propyl]-1,3-benzoxazole
CID 95609732
2-(3-piperidin-1-ylpropyl)-1,3-benzoxazole
CID 139877726
[1-(1,3-benzoxazol-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 62015900
2-[3-(4-methylpiperidin-1-yl)propyl]-1,3-benzoxazole
CID 22989639
3-[(2R)-1-[3-(1,3-benzoxazol-2-yl)propyl]-2-methylpyrrolidin-2-yl]propan-1-ol
CID 97253496
3-[2-(3-phenylpropyl)piperidin-1-yl]propan-1-ol
CID 21153822
1-(1,3-benzoxazol-2-ylmethyl)azepane-2-carboxylic acid
CID 64563936
6-[2-(2-hydroxyethyl)piperidin-1-yl]hexan-1-ol
CID 103737919
N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 125172224
[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methanol
CID 22220871
(2R)-1-[4-[3-(1,3-benzoxazol-2-yl)propyl]piperazin-1-yl]propan-2-ol
CID 95309136

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(1,3-benzoxazol-2-yl)propyl]piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-[3-(1,3-benzoxazol-2-yl)propyl]piperidin-2-yl]ethanol (CID 111111640) is 2-[1-[3-(1,3-benzoxazol-2-yl)propyl]piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[3-(1,3-benzoxazol-2-yl)propyl]piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-[3-(1,3-benzoxazol-2-yl)propyl]piperidin-2-yl]ethanol is OCCC1CCCCN1CCCc1nc2ccccc2o1.
What is the InChIKey of 2-[1-[3-(1,3-benzoxazol-2-yl)propyl]piperidin-2-yl]ethanol?
The InChIKey is JCSBIOBNYBNPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c20-13-10-14-6-3-4-11-19(14)12-5-9-17-18-15-7-1-2-8-16(15)21-17/h1-2,7-8,14,20H,3-6,9-13H2.
What are the key properties of 2-[1-[3-(1,3-benzoxazol-2-yl)propyl]piperidin-2-yl]ethanol?
2-[1-[3-(1,3-benzoxazol-2-yl)propyl]piperidin-2-yl]ethanol has a molecular weight of 288.39 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(1,3-benzoxazol-2-yl)propyl]piperidin-2-yl]ethanol is sourced from PubChem (CID 111111640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).