[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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Related Compounds

2-[(4-tert-Butylphenyl)methyl]-3-piperidin-1-ylpropan-1-ol
CID 139594270
(3-Benzyl-1-cyclopentylpiperidin-3-yl)methanol
CID 16188206
{3-benzyl-1-[(2E)-2-methylbut-2-en-1-yl]piperidin-3-yl}methanol
CID 16188287
[1-Cyclobutyl-4-(3-phenylpropyl)-4-piperidinyl]methanol
CID 23723713
(4-Benzyl-1-methylpiperidin-4-yl)methanol
CID 16191162
{4-(2-phenylethyl)-1-[(2E)-3-phenyl-2-propen-1-yl]-4-piperidinyl}methanol
CID 23723787
[3-(2-Fluorobenzyl)-1-(2-phenylethyl)piperidin-3-yl]methanol
CID 23723607
[1-(Cyclohexylmethyl)-3-(2-fluorobenzyl)-3-piperidinyl]methanol
CID 23723526
[3-(2-Phenylethyl)-1-(4,4,4-trifluorobutyl)-3-piperidinyl]methanol
CID 23724060
[1-[(2E)-3-phenylprop-2-en-1-yl]-4-(tetrahydro-2H-pyran-2-ylmethyl)piperidin-4-yl]methanol
CID 16191776
Ethyl 3-(hydroxymethyl)-3-(2-methylbenzyl)-1,4'-bipiperidine-1'-carboxylate
CID 16191872
[3-(2-Phenylethyl)-1-(3-phenylpropyl)-3-piperidinyl]methanol
CID 23723226

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).