1-(4-cyclohexyloxypiperidin-1-yl)-3-phenylmethoxypropan-2-ol

C21H33NO3 — CID 110910900

IUPAC1-(4-cyclohexyloxypiperidin-1-yl)-3-phenylmethoxypropan-2-ol
SMILESOC(COCc1ccccc1)CN1CCC(OC2CCCCC2)CC1
InChIInChI=1S/C21H33NO3/c23-19(17-24-16-18-7-3-1-4-8-18)15-22-13-11-21(12-14-22)25-20-9-5-2-6-10-20/h1,3-4,7-8,19-21,23H,2,5-6,9-17H2
InChIKeyWTWBHXRVHOIACA-UHFFFAOYSA-N
MW347.50 g/mol
LogP3.38
Rot. Bonds8

About 1-(4-cyclohexyloxypiperidin-1-yl)-3-phenylmethoxypropan-2-ol

1-(4-cyclohexyloxypiperidin-1-yl)-3-phenylmethoxypropan-2-ol (PubChem CID 110910900) has the molecular formula C21H33NO3 and a molecular weight of 347.50 g/mol. Its IUPAC name is 1-(4-cyclohexyloxypiperidin-1-yl)-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name1-(4-cyclohexyloxypiperidin-1-yl)-3-phenylmethoxypropan-2-ol
PubChem CID110910900
Molecular FormulaC21H33NO3
Molecular Weight347.50 g/mol
Exact Mass347.25
IUPAC Name1-(4-cyclohexyloxypiperidin-1-yl)-3-phenylmethoxypropan-2-ol
SMILESOC(COCc1ccccc1)CN1CCC(OC2CCCCC2)CC1
InChIInChI=1S/C21H33NO3/c23-19(17-24-16-18-7-3-1-4-8-18)15-22-13-11-21(12-14-22)25-20-9-5-2-6-10-20/h1,3-4,7-8,19-21,23H,2,5-6,9-17H2
InChIKeyWTWBHXRVHOIACA-UHFFFAOYSA-N
XLogP3.38
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol
CID 2769742
1-(2-hydroxy-3-phenylmethoxypropyl)piperidin-4-ol
CID 60632394
1-[(2R)-2-hydroxy-3-phenylmethoxypropyl]piperidin-4-ol
CID 95232047
1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol chloride
CID 21236635
(2S)-1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol
CID 740501
1-(4-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol
CID 2834350
1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol chloride
CID 53346846
(2R)-1-(4-benzylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol
CID 780314
1-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylmethoxypropan-2-ol
CID 60768507
1-(4-methylazepan-1-yl)-3-phenylmethoxypropan-2-ol
CID 62045632
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-phenylmethoxypropan-2-ol
CID 112734049
1-[(2-fluorophenyl)methoxy]-3-(4-phenylmethoxypiperidin-1-yl)propan-2-ol
CID 86913317

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexyloxypiperidin-1-yl)-3-phenylmethoxypropan-2-ol?
The IUPAC name of 1-(4-cyclohexyloxypiperidin-1-yl)-3-phenylmethoxypropan-2-ol (CID 110910900) is 1-(4-cyclohexyloxypiperidin-1-yl)-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for 1-(4-cyclohexyloxypiperidin-1-yl)-3-phenylmethoxypropan-2-ol?
The canonical SMILES for 1-(4-cyclohexyloxypiperidin-1-yl)-3-phenylmethoxypropan-2-ol is OC(COCc1ccccc1)CN1CCC(OC2CCCCC2)CC1.
What is the InChIKey of 1-(4-cyclohexyloxypiperidin-1-yl)-3-phenylmethoxypropan-2-ol?
The InChIKey is WTWBHXRVHOIACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO3/c23-19(17-24-16-18-7-3-1-4-8-18)15-22-13-11-21(12-14-22)25-20-9-5-2-6-10-20/h1,3-4,7-8,19-21,23H,2,5-6,9-17H2.
What are the key properties of 1-(4-cyclohexyloxypiperidin-1-yl)-3-phenylmethoxypropan-2-ol?
1-(4-cyclohexyloxypiperidin-1-yl)-3-phenylmethoxypropan-2-ol has a molecular weight of 347.50 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexyloxypiperidin-1-yl)-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 110910900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).