[1-(1,3-benzoxazol-2-ylmethyl)piperidin-3-yl]methanol

C14H18N2O2 — CID 60670163

IUPAC[1-(1,3-benzoxazol-2-ylmethyl)piperidin-3-yl]methanol
SMILESOCC1CCCN(Cc2nc3ccccc3o2)C1
InChIInChI=1S/C14H18N2O2/c17-10-11-4-3-7-16(8-11)9-14-15-12-5-1-2-6-13(12)18-14/h1-2,5-6,11,17H,3-4,7-10H2
InChIKeyWLWQAJCZFTYUMG-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.03
Rot. Bonds3

About [1-(1,3-benzoxazol-2-ylmethyl)piperidin-3-yl]methanol

[1-(1,3-benzoxazol-2-ylmethyl)piperidin-3-yl]methanol (PubChem CID 60670163) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is [1-(1,3-benzoxazol-2-ylmethyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(1,3-benzoxazol-2-ylmethyl)piperidin-3-yl]methanol
PubChem CID60670163
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name[1-(1,3-benzoxazol-2-ylmethyl)piperidin-3-yl]methanol
SMILESOCC1CCCN(Cc2nc3ccccc3o2)C1
InChIInChI=1S/C14H18N2O2/c17-10-11-4-3-7-16(8-11)9-14-15-12-5-1-2-6-13(12)18-14/h1-2,5-6,11,17H,3-4,7-10H2
InChIKeyWLWQAJCZFTYUMG-UHFFFAOYSA-N
XLogP2.03
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(5-nitro-1,3-benzoxazol-2-yl)methyl]piperidin-3-yl]methanol
CID 111912633
2-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-1,3-benzoxazole
CID 9348821
2-[[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-1,3-benzoxazole
CID 9348819
[1-(1,3-benzoxazol-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 62015900
ethyl (3S)-1-(1,3-benzoxazol-2-ylmethyl)piperidine-3-carboxylate
CID 81338545
2-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,3-benzoxazole
CID 71926991
1-(1,3-benzoxazol-2-ylmethyl)piperidine-4-carboxamide
CID 9443132
2-[(3-methylpiperazin-1-yl)methyl]-1,3-benzoxazole
CID 65449608
[4-(1,3-benzoxazol-2-ylmethyl)piperazin-1-yl]-cyclopentylmethanone
CID 36880399
[1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanol
CID 62021565
[1-(1,3-benzoxazol-2-yl)pyrrolidin-3-yl]methanol
CID 62371883
2-[[3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-benzoxazole
CID 154774777

Frequently Asked Questions

What is the IUPAC name of [1-(1,3-benzoxazol-2-ylmethyl)piperidin-3-yl]methanol?
The IUPAC name of [1-(1,3-benzoxazol-2-ylmethyl)piperidin-3-yl]methanol (CID 60670163) is [1-(1,3-benzoxazol-2-ylmethyl)piperidin-3-yl]methanol.
What is the SMILES notation for [1-(1,3-benzoxazol-2-ylmethyl)piperidin-3-yl]methanol?
The canonical SMILES for [1-(1,3-benzoxazol-2-ylmethyl)piperidin-3-yl]methanol is OCC1CCCN(Cc2nc3ccccc3o2)C1.
What is the InChIKey of [1-(1,3-benzoxazol-2-ylmethyl)piperidin-3-yl]methanol?
The InChIKey is WLWQAJCZFTYUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c17-10-11-4-3-7-16(8-11)9-14-15-12-5-1-2-6-13(12)18-14/h1-2,5-6,11,17H,3-4,7-10H2.
What are the key properties of [1-(1,3-benzoxazol-2-ylmethyl)piperidin-3-yl]methanol?
[1-(1,3-benzoxazol-2-ylmethyl)piperidin-3-yl]methanol has a molecular weight of 246.31 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,3-benzoxazol-2-ylmethyl)piperidin-3-yl]methanol is sourced from PubChem (CID 60670163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).