1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol

C15H23NO2 — CID 2769742

IUPAC1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol
SMILESOC(COCc1ccccc1)CN1CCCCC1
InChIInChI=1S/C15H23NO2/c17-15(11-16-9-5-2-6-10-16)13-18-12-14-7-3-1-4-8-14/h1,3-4,7-8,15,17H,2,5-6,9-13H2
InChIKeyYBFNYOQFUPPMCK-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.05
Rot. Bonds6

About 1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol

1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol (PubChem CID 2769742) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol
PubChem CID2769742
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol
SMILESOC(COCc1ccccc1)CN1CCCCC1
InChIInChI=1S/C15H23NO2/c17-15(11-16-9-5-2-6-10-16)13-18-12-14-7-3-1-4-8-14/h1,3-4,7-8,15,17H,2,5-6,9-13H2
InChIKeyYBFNYOQFUPPMCK-UHFFFAOYSA-N
XLogP2.05
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol chloride
CID 21236635
(2S)-1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol
CID 740501
1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol chloride
CID 53346846
1-(4-cyclohexyloxypiperidin-1-yl)-3-phenylmethoxypropan-2-ol
CID 110910900
1-(4-methylazepan-1-yl)-3-phenylmethoxypropan-2-ol
CID 62045632
1-[(2S)-2-hydroxy-3-phenylmethoxypropyl]piperidin-4-one
CID 95357977
1-(2-hydroxy-3-phenylmethoxypropyl)piperidin-4-ol
CID 60632394
1-[(2R)-2-hydroxy-3-phenylmethoxypropyl]piperidin-4-ol
CID 95232047
1-[4-(2-hydroxy-3-phenylmethoxypropyl)-1,4-diazepan-1-yl]ethanone
CID 17471466
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol dichloride
CID 21236661
1-(4-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol
CID 2834350
(2R)-1-(4-benzylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol
CID 780314

Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol?
The IUPAC name of 1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol (CID 2769742) is 1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol?
The canonical SMILES for 1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol is OC(COCc1ccccc1)CN1CCCCC1.
What is the InChIKey of 1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol?
The InChIKey is YBFNYOQFUPPMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c17-15(11-16-9-5-2-6-10-16)13-18-12-14-7-3-1-4-8-14/h1,3-4,7-8,15,17H,2,5-6,9-13H2.
What are the key properties of 1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol?
1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol has a molecular weight of 249.35 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol is sourced from PubChem (CID 2769742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).