2-(1-hydroxycyclohexyl)-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone

C20H29NO3 — CID 111446341

IUPAC2-(1-hydroxycyclohexyl)-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone
SMILESO=C(CC1(O)CCCCC1)N1CCC(COc2ccccc2)CC1
InChIInChI=1S/C20H29NO3/c22-19(15-20(23)11-5-2-6-12-20)21-13-9-17(10-14-21)16-24-18-7-3-1-4-8-18/h1,3-4,7-8,17,23H,2,5-6,9-16H2
InChIKeyLVFINOJMANYNSV-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.39
Rot. Bonds5

About 2-(1-hydroxycyclohexyl)-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone

2-(1-hydroxycyclohexyl)-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone (PubChem CID 111446341) has the molecular formula C20H29NO3 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-(1-hydroxycyclohexyl)-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1-hydroxycyclohexyl)-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone
PubChem CID111446341
Molecular FormulaC20H29NO3
Molecular Weight331.46 g/mol
Exact Mass331.21
IUPAC Name2-(1-hydroxycyclohexyl)-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone
SMILESO=C(CC1(O)CCCCC1)N1CCC(COc2ccccc2)CC1
InChIInChI=1S/C20H29NO3/c22-19(15-20(23)11-5-2-6-12-20)21-13-9-17(10-14-21)16-24-18-7-3-1-4-8-18/h1,3-4,7-8,17,23H,2,5-6,9-16H2
InChIKeyLVFINOJMANYNSV-UHFFFAOYSA-N
XLogP3.39
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-aminocyclopentyl)-[4-(phenoxymethyl)piperidin-1-yl]methanone
CID 119304906
2-hydroxy-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone
CID 100667514
2-(1-hydroxycyclohexyl)-1-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]ethanone
CID 111540560
3-amino-1-[4-(phenoxymethyl)piperidin-1-yl]butan-1-one
CID 119751577
4-amino-1-[4-(phenoxymethyl)piperidin-1-yl]butan-1-one
CID 119304918
4-amino-1-[4-(phenoxymethyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119304917
1-[2-(1-hydroxycyclohexyl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 111331775
3-[1-[2-(1-hydroxycyclopentyl)acetyl]piperidin-4-yl]oxybenzonitrile
CID 111538092
2-(1-hydroxycyclopentyl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 111430178
4-(phenoxymethyl)-N-phenylpiperidine-1-carboxamide
CID 110638783
[4-(phenoxymethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 110638786
cyclohexylmethoxybenzene
CID 14399287

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclohexyl)-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(1-hydroxycyclohexyl)-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone (CID 111446341) is 2-(1-hydroxycyclohexyl)-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(1-hydroxycyclohexyl)-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(1-hydroxycyclohexyl)-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone is O=C(CC1(O)CCCCC1)N1CCC(COc2ccccc2)CC1.
What is the InChIKey of 2-(1-hydroxycyclohexyl)-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone?
The InChIKey is LVFINOJMANYNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO3/c22-19(15-20(23)11-5-2-6-12-20)21-13-9-17(10-14-21)16-24-18-7-3-1-4-8-18/h1,3-4,7-8,17,23H,2,5-6,9-16H2.
What are the key properties of 2-(1-hydroxycyclohexyl)-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone?
2-(1-hydroxycyclohexyl)-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone has a molecular weight of 331.46 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclohexyl)-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 111446341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).