[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]-phenylmethanol

C16H20N2O2 — CID 111432875

IUPAC[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]-phenylmethanol
SMILESOC(c1ccccc1)C1CCN(Cc2ccon2)CC1
InChIInChI=1S/C16H20N2O2/c19-16(13-4-2-1-3-5-13)14-6-9-18(10-7-14)12-15-8-11-20-17-15/h1-5,8,11,14,16,19H,6-7,9-10,12H2
InChIKeyPPBJVAITFRLRRI-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.62
Rot. Bonds4

About [1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]-phenylmethanol

[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]-phenylmethanol (PubChem CID 111432875) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is [1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]-phenylmethanol.

Molecular Properties

Compound Name[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]-phenylmethanol
PubChem CID111432875
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]-phenylmethanol
SMILESOC(c1ccccc1)C1CCN(Cc2ccon2)CC1
InChIInChI=1S/C16H20N2O2/c19-16(13-4-2-1-3-5-13)14-6-9-18(10-7-14)12-15-8-11-20-17-15/h1-5,8,11,14,16,19H,6-7,9-10,12H2
InChIKeyPPBJVAITFRLRRI-UHFFFAOYSA-N
XLogP2.62
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanol
CID 110906747
[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-phenylmethanol
CID 139008684
phenyl-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol
CID 110883986
[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-phenylmethanol
CID 110913167
phenyl-(1-prop-2-ynylpiperidin-4-yl)methanol
CID 110884402
(R)-phenyl-[1-(2-phenylethyl)piperidin-4-yl]methanol
CID 6604770
[1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-phenylmethanol
CID 134056053
4-[[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methyl]benzonitrile
CID 33349056
2-[[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methyl]-6-methylpyridin-3-ol
CID 97332182
3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoic acid
CID 119134519
4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-ol
CID 110931575
(S)-phenyl-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol
CID 36669511

Frequently Asked Questions

What is the IUPAC name of [1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]-phenylmethanol?
The IUPAC name of [1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]-phenylmethanol (CID 111432875) is [1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]-phenylmethanol.
What is the SMILES notation for [1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]-phenylmethanol?
The canonical SMILES for [1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]-phenylmethanol is OC(c1ccccc1)C1CCN(Cc2ccon2)CC1.
What is the InChIKey of [1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]-phenylmethanol?
The InChIKey is PPBJVAITFRLRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-16(13-4-2-1-3-5-13)14-6-9-18(10-7-14)12-15-8-11-20-17-15/h1-5,8,11,14,16,19H,6-7,9-10,12H2.
What are the key properties of [1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]-phenylmethanol?
[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]-phenylmethanol has a molecular weight of 272.35 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]-phenylmethanol is sourced from PubChem (CID 111432875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).