2-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]amino]ethanol

C14H19N3O2 — CID 146081262

IUPAC2-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]amino]ethanol
SMILESOCCNC1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C14H19N3O2/c18-10-7-15-11-5-8-17(9-6-11)14-16-12-3-1-2-4-13(12)19-14/h1-4,11,15,18H,5-10H2
InChIKeyGOMCNEPOBQSCHP-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.38
Rot. Bonds4

About 2-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]amino]ethanol

2-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]amino]ethanol (PubChem CID 146081262) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]amino]ethanol
PubChem CID146081262
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]amino]ethanol
SMILESOCCNC1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C14H19N3O2/c18-10-7-15-11-5-8-17(9-6-11)14-16-12-3-1-2-4-13(12)19-14/h1-4,11,15,18H,5-10H2
InChIKeyGOMCNEPOBQSCHP-UHFFFAOYSA-N
XLogP1.38
TPSA61.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-benzoxazol-2-yl)-N-(cyclopropylmethyl)piperidin-4-amine
CID 115307563
1-(1,3-benzoxazol-2-yl)-N-benzylpiperidin-4-amine
CID 122154060
1-(1,3-benzoxazol-2-yl)-N-[2-(cycloheptylamino)ethyl]piperidine-4-carboxamide
CID 119620972
1-(1,3-benzoxazol-2-yl)-N-[2-(triazolidin-4-ylsulfanyl)ethyl]piperidin-4-amine
CID 134080613
[1-(1,3-benzoxazol-2-yl)pyrrolidin-3-yl]methanol
CID 62371883
1-(1,3-benzoxazol-2-yl)-N'-(cyclopropanecarbonyl)piperidine-4-carbohydrazide
CID 26025752
N-[[1-(1,3-benzoxazol-2-yl)piperidin-3-yl]methyl]cyclopropanamine
CID 62586348
1-(1,3-benzoxazol-2-yl)-N-(1-ethylpiperidin-4-yl)piperidine-4-carboxamide
CID 42014957
tert-butyl N-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]carbamate
CID 71632159
1-(1,3-benzoxazol-2-yl)-N-butylpiperidine-4-carboxamide
CID 15993683
[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 3415222
2-[4-(1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl]-1,3-benzoxazole
CID 14792326

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]amino]ethanol (CID 146081262) is 2-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]amino]ethanol is OCCNC1CCN(c2nc3ccccc3o2)CC1.
What is the InChIKey of 2-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]amino]ethanol?
The InChIKey is GOMCNEPOBQSCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c18-10-7-15-11-5-8-17(9-6-11)14-16-12-3-1-2-4-13(12)19-14/h1-4,11,15,18H,5-10H2.
What are the key properties of 2-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]amino]ethanol?
2-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]amino]ethanol has a molecular weight of 261.32 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]amino]ethanol is sourced from PubChem (CID 146081262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).