1-(oxan-3-ylmethyl)-4-phenylpiperidin-4-ol

C17H25NO2 — CID 91840019

IUPAC1-(oxan-3-ylmethyl)-4-phenylpiperidin-4-ol
SMILESOC1(c2ccccc2)CCN(CC2CCCOC2)CC1
InChIInChI=1S/C17H25NO2/c19-17(16-6-2-1-3-7-16)8-10-18(11-9-17)13-15-5-4-12-20-14-15/h1-3,6-7,15,19H,4-5,8-14H2
InChIKeyNMHMMWLSJVFFQI-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.40
Rot. Bonds3

About 1-(oxan-3-ylmethyl)-4-phenylpiperidin-4-ol

1-(oxan-3-ylmethyl)-4-phenylpiperidin-4-ol (PubChem CID 91840019) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-(oxan-3-ylmethyl)-4-phenylpiperidin-4-ol.

Molecular Properties

Compound Name1-(oxan-3-ylmethyl)-4-phenylpiperidin-4-ol
PubChem CID91840019
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-(oxan-3-ylmethyl)-4-phenylpiperidin-4-ol
SMILESOC1(c2ccccc2)CCN(CC2CCCOC2)CC1
InChIInChI=1S/C17H25NO2/c19-17(16-6-2-1-3-7-16)8-10-18(11-9-17)13-15-5-4-12-20-14-15/h1-3,6-7,15,19H,4-5,8-14H2
InChIKeyNMHMMWLSJVFFQI-UHFFFAOYSA-N
XLogP2.40
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylmethyl)-4-phenylpiperidin-4-ol
CID 3064338
1-(oxan-3-ylmethyl)pyrrolidine
CID 91805344
4-ethyl-1-phenylcycloheptan-1-ol
CID 65085687
3-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one
CID 15691846
4-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1-phenylpyrrolidin-2-one
CID 118779442
3-cyclohexyl-1-(4-hydroxy-4-phenylpiperidin-1-yl)propan-1-one
CID 110185891
1-(oxolan-3-ylmethyl)-4-(3-phenylpropyl)piperidine-4-carboxylic acid
CID 56879985
(3S)-1-(cyclopentylmethyl)-3-(4-phenylphenyl)piperidin-3-ol
CID 155405702
1-(2-aminoethyl)-4-phenylpiperidin-4-ol
CID 15289503
6-(oxan-3-ylmethyl)-3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine
CID 154569743
4-phenyl-1-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidin-4-ol
CID 135112395
3-[2-(oxolan-3-ylmethyl)-1,3,4,5,6,7,8,8a-octahydrocyclopenta[c]azepin-5a-yl]phenol
CID 21330576

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-3-ylmethyl)-4-phenylpiperidin-4-ol?
The IUPAC name of 1-(oxan-3-ylmethyl)-4-phenylpiperidin-4-ol (CID 91840019) is 1-(oxan-3-ylmethyl)-4-phenylpiperidin-4-ol.
What is the SMILES notation for 1-(oxan-3-ylmethyl)-4-phenylpiperidin-4-ol?
The canonical SMILES for 1-(oxan-3-ylmethyl)-4-phenylpiperidin-4-ol is OC1(c2ccccc2)CCN(CC2CCCOC2)CC1.
What is the InChIKey of 1-(oxan-3-ylmethyl)-4-phenylpiperidin-4-ol?
The InChIKey is NMHMMWLSJVFFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c19-17(16-6-2-1-3-7-16)8-10-18(11-9-17)13-15-5-4-12-20-14-15/h1-3,6-7,15,19H,4-5,8-14H2.
What are the key properties of 1-(oxan-3-ylmethyl)-4-phenylpiperidin-4-ol?
1-(oxan-3-ylmethyl)-4-phenylpiperidin-4-ol has a molecular weight of 275.39 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-3-ylmethyl)-4-phenylpiperidin-4-ol is sourced from PubChem (CID 91840019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).