2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-ium-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide

C20H30FN2O2+ — CID 7224248

IUPAC2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-ium-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
SMILESC[C@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(O)(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H29FN2O2/c1-15-4-2-3-5-18(15)22-19(24)14-23-12-10-20(25,11-13-23)16-6-8-17(21)9-7-16/h6-9,15,18,25H,2-5,10-14H2,1H3,(H,22,24)/p+1/t15-,18+/m0/s1
InChIKeyVOAAJCDJYIZNDF-MAUKXSAKSA-O
MW349.47 g/mol
LogP1.39
Rot. Bonds4

About 2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-ium-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide

2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-ium-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide (PubChem CID 7224248) has the molecular formula C20H30FN2O2+ and a molecular weight of 349.47 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-ium-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-ium-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
PubChem CID7224248
Molecular FormulaC20H30FN2O2+
Molecular Weight349.47 g/mol
Exact Mass349.23
IUPAC Name2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-ium-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
SMILESC[C@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(O)(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H29FN2O2/c1-15-4-2-3-5-18(15)22-19(24)14-23-12-10-20(25,11-13-23)16-6-8-17(21)9-7-16/h6-9,15,18,25H,2-5,10-14H2,1H3,(H,22,24)/p+1/t15-,18+/m0/s1
InChIKeyVOAAJCDJYIZNDF-MAUKXSAKSA-O
XLogP1.39
TPSA53.77 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 8747636
2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 9436251
2-[4-[(2-fluorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 9442923
2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 8744449
2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 8691283
N-[(1S,2R)-2-methylcyclohexyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide
CID 8519842
2-(2,4-difluorophenyl)-N-(2-methylcyclohexyl)acetamide
CID 110488908
4-fluoro-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 2098476
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 4-fluorobenzoate
CID 2627211
(4-fluorophenyl)methyl-methyl-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
CID 8676651
2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 8687877
2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 11892741

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-ium-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide?
The IUPAC name of 2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-ium-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide (CID 7224248) is 2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-ium-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-ium-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-ium-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide is C[C@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(O)(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-ium-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide?
The InChIKey is VOAAJCDJYIZNDF-MAUKXSAKSA-O. The full InChI is InChI=1S/C20H29FN2O2/c1-15-4-2-3-5-18(15)22-19(24)14-23-12-10-20(25,11-13-23)16-6-8-17(21)9-7-16/h6-9,15,18,25H,2-5,10-14H2,1H3,(H,22,24)/p+1/t15-,18+/m0/s1.
What are the key properties of 2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-ium-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide?
2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-ium-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide has a molecular weight of 349.47 g/mol, XLogP of 1.39, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-ium-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide is sourced from PubChem (CID 7224248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).