1-[(2S)-2-hydroxy-3-phenylmethoxypropyl]piperidin-4-one

C15H21NO3 — CID 95357977

IUPAC1-[(2S)-2-hydroxy-3-phenylmethoxypropyl]piperidin-4-one
SMILESO=C1CCN(C[C@H](O)COCc2ccccc2)CC1
InChIInChI=1S/C15H21NO3/c17-14-6-8-16(9-7-14)10-15(18)12-19-11-13-4-2-1-3-5-13/h1-5,15,18H,6-12H2/t15-/m0/s1
InChIKeyNGJHHEOYXBESHK-HNNXBMFYSA-N
MW263.34 g/mol
LogP1.23
Rot. Bonds6

About 1-[(2S)-2-hydroxy-3-phenylmethoxypropyl]piperidin-4-one

1-[(2S)-2-hydroxy-3-phenylmethoxypropyl]piperidin-4-one (PubChem CID 95357977) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[(2S)-2-hydroxy-3-phenylmethoxypropyl]piperidin-4-one.

Molecular Properties

Compound Name1-[(2S)-2-hydroxy-3-phenylmethoxypropyl]piperidin-4-one
PubChem CID95357977
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name1-[(2S)-2-hydroxy-3-phenylmethoxypropyl]piperidin-4-one
SMILESO=C1CCN(C[C@H](O)COCc2ccccc2)CC1
InChIInChI=1S/C15H21NO3/c17-14-6-8-16(9-7-14)10-15(18)12-19-11-13-4-2-1-3-5-13/h1-5,15,18H,6-12H2/t15-/m0/s1
InChIKeyNGJHHEOYXBESHK-HNNXBMFYSA-N
XLogP1.23
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol
CID 740501
1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol chloride
CID 53346846
1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol
CID 2769742
1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol chloride
CID 21236635
1-(2-hydroxy-3-phenylmethoxypropyl)piperidin-4-ol
CID 60632394
1-[(2R)-2-hydroxy-3-phenylmethoxypropyl]piperidin-4-ol
CID 95232047
3-ethyl-1-(2-hydroxy-3-phenylmethoxypropyl)piperidin-4-one
CID 114509037
1-(4-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol
CID 2834350
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol dichloride
CID 21236661
1-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylmethoxypropan-2-ol
CID 60768507
(2R)-1-(4-benzylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol
CID 780314
1-[4-(2-hydroxy-3-phenylmethoxypropyl)-1,4-diazepan-1-yl]ethanone
CID 17471466

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-hydroxy-3-phenylmethoxypropyl]piperidin-4-one?
The IUPAC name of 1-[(2S)-2-hydroxy-3-phenylmethoxypropyl]piperidin-4-one (CID 95357977) is 1-[(2S)-2-hydroxy-3-phenylmethoxypropyl]piperidin-4-one.
What is the SMILES notation for 1-[(2S)-2-hydroxy-3-phenylmethoxypropyl]piperidin-4-one?
The canonical SMILES for 1-[(2S)-2-hydroxy-3-phenylmethoxypropyl]piperidin-4-one is O=C1CCN(C[C@H](O)COCc2ccccc2)CC1.
What is the InChIKey of 1-[(2S)-2-hydroxy-3-phenylmethoxypropyl]piperidin-4-one?
The InChIKey is NGJHHEOYXBESHK-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H21NO3/c17-14-6-8-16(9-7-14)10-15(18)12-19-11-13-4-2-1-3-5-13/h1-5,15,18H,6-12H2/t15-/m0/s1.
What are the key properties of 1-[(2S)-2-hydroxy-3-phenylmethoxypropyl]piperidin-4-one?
1-[(2S)-2-hydroxy-3-phenylmethoxypropyl]piperidin-4-one has a molecular weight of 263.34 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-hydroxy-3-phenylmethoxypropyl]piperidin-4-one is sourced from PubChem (CID 95357977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).