3-ethyl-1-(2-hydroxy-3-phenylmethoxypropyl)piperidin-4-one

C17H25NO3 — CID 114509037

IUPAC3-ethyl-1-(2-hydroxy-3-phenylmethoxypropyl)piperidin-4-one
SMILESCCC1CN(CC(O)COCc2ccccc2)CCC1=O
InChIInChI=1S/C17H25NO3/c1-2-15-10-18(9-8-17(15)20)11-16(19)13-21-12-14-6-4-3-5-7-14/h3-7,15-16,19H,2,8-13H2,1H3
InChIKeyXNTFVXVBCIVCMN-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.87
Rot. Bonds7

About 3-ethyl-1-(2-hydroxy-3-phenylmethoxypropyl)piperidin-4-one

3-ethyl-1-(2-hydroxy-3-phenylmethoxypropyl)piperidin-4-one (PubChem CID 114509037) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-ethyl-1-(2-hydroxy-3-phenylmethoxypropyl)piperidin-4-one.

Molecular Properties

Compound Name3-ethyl-1-(2-hydroxy-3-phenylmethoxypropyl)piperidin-4-one
PubChem CID114509037
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name3-ethyl-1-(2-hydroxy-3-phenylmethoxypropyl)piperidin-4-one
SMILESCCC1CN(CC(O)COCc2ccccc2)CCC1=O
InChIInChI=1S/C17H25NO3/c1-2-15-10-18(9-8-17(15)20)11-16(19)13-21-12-14-6-4-3-5-7-14/h3-7,15-16,19H,2,8-13H2,1H3
InChIKeyXNTFVXVBCIVCMN-UHFFFAOYSA-N
XLogP1.87
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-2-hydroxy-3-phenylmethoxypropyl]piperidin-4-one
CID 95357977
1-(2-ethylthiomorpholin-4-yl)-3-phenylmethoxypropan-2-ol
CID 115666599
3-ethyl-1-(2-hydroxybutyl)piperidin-4-one
CID 114508808
(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
1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol
CID 2769742
1-[(2R)-2-hydroxy-3-phenylmethoxypropyl]piperidin-4-ol
CID 95232047
1-(2-hydroxy-3-phenylmethoxypropyl)piperidin-4-ol
CID 60632394
1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol chloride
CID 21236635
ethyl 4-(2-hydroxy-3-phenylmethoxypropyl)piperazine-1-carboxylate;hydrochloride
CID 2770557
ethyl 4-(2-hydroxy-3-phenylmethoxypropyl)piperazine-1-carboxylate chloride
CID 46863744

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-hydroxy-3-phenylmethoxypropyl)piperidin-4-one?
The IUPAC name of 3-ethyl-1-(2-hydroxy-3-phenylmethoxypropyl)piperidin-4-one (CID 114509037) is 3-ethyl-1-(2-hydroxy-3-phenylmethoxypropyl)piperidin-4-one.
What is the SMILES notation for 3-ethyl-1-(2-hydroxy-3-phenylmethoxypropyl)piperidin-4-one?
The canonical SMILES for 3-ethyl-1-(2-hydroxy-3-phenylmethoxypropyl)piperidin-4-one is CCC1CN(CC(O)COCc2ccccc2)CCC1=O.
What is the InChIKey of 3-ethyl-1-(2-hydroxy-3-phenylmethoxypropyl)piperidin-4-one?
The InChIKey is XNTFVXVBCIVCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-2-15-10-18(9-8-17(15)20)11-16(19)13-21-12-14-6-4-3-5-7-14/h3-7,15-16,19H,2,8-13H2,1H3.
What are the key properties of 3-ethyl-1-(2-hydroxy-3-phenylmethoxypropyl)piperidin-4-one?
3-ethyl-1-(2-hydroxy-3-phenylmethoxypropyl)piperidin-4-one has a molecular weight of 291.39 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-hydroxy-3-phenylmethoxypropyl)piperidin-4-one is sourced from PubChem (CID 114509037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).