[1-(oxan-4-yl)-3-(2-phenylethyl)piperidin-3-yl]methanol

C19H29NO2 — CID 45171513

IUPAC[1-(oxan-4-yl)-3-(2-phenylethyl)piperidin-3-yl]methanol
SMILESOCC1(CCc2ccccc2)CCCN(C2CCOCC2)C1
InChIInChI=1S/C19H29NO2/c21-16-19(11-7-17-5-2-1-3-6-17)10-4-12-20(15-19)18-8-13-22-14-9-18/h1-3,5-6,18,21H,4,7-16H2
InChIKeyJRVIXVPJIQMIFA-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.87
Rot. Bonds5

About [1-(oxan-4-yl)-3-(2-phenylethyl)piperidin-3-yl]methanol

[1-(oxan-4-yl)-3-(2-phenylethyl)piperidin-3-yl]methanol (PubChem CID 45171513) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is [1-(oxan-4-yl)-3-(2-phenylethyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(oxan-4-yl)-3-(2-phenylethyl)piperidin-3-yl]methanol
PubChem CID45171513
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name[1-(oxan-4-yl)-3-(2-phenylethyl)piperidin-3-yl]methanol
SMILESOCC1(CCc2ccccc2)CCCN(C2CCOCC2)C1
InChIInChI=1S/C19H29NO2/c21-16-19(11-7-17-5-2-1-3-6-17)10-4-12-20(15-19)18-8-13-22-14-9-18/h1-3,5-6,18,21H,4,7-16H2
InChIKeyJRVIXVPJIQMIFA-UHFFFAOYSA-N
XLogP2.87
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(oxan-4-yl)-3-(2-phenylethyl)piperidin-3-yl]methanol?
The IUPAC name of [1-(oxan-4-yl)-3-(2-phenylethyl)piperidin-3-yl]methanol (CID 45171513) is [1-(oxan-4-yl)-3-(2-phenylethyl)piperidin-3-yl]methanol.
What is the SMILES notation for [1-(oxan-4-yl)-3-(2-phenylethyl)piperidin-3-yl]methanol?
The canonical SMILES for [1-(oxan-4-yl)-3-(2-phenylethyl)piperidin-3-yl]methanol is OCC1(CCc2ccccc2)CCCN(C2CCOCC2)C1.
What is the InChIKey of [1-(oxan-4-yl)-3-(2-phenylethyl)piperidin-3-yl]methanol?
The InChIKey is JRVIXVPJIQMIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c21-16-19(11-7-17-5-2-1-3-6-17)10-4-12-20(15-19)18-8-13-22-14-9-18/h1-3,5-6,18,21H,4,7-16H2.
What are the key properties of [1-(oxan-4-yl)-3-(2-phenylethyl)piperidin-3-yl]methanol?
[1-(oxan-4-yl)-3-(2-phenylethyl)piperidin-3-yl]methanol has a molecular weight of 303.45 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(oxan-4-yl)-3-(2-phenylethyl)piperidin-3-yl]methanol is sourced from PubChem (CID 45171513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).