4-[2-(2-fluorophenyl)-2-(1-hydroxycyclohexyl)acetyl]piperazine-1-carboxylic acid

C19H25FN2O4 — CID 174524081

IUPAC4-[2-(2-fluorophenyl)-2-(1-hydroxycyclohexyl)acetyl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(C(=O)C(c2ccccc2F)C2(O)CCCCC2)CC1
InChIInChI=1S/C19H25FN2O4/c20-15-7-3-2-6-14(15)16(19(26)8-4-1-5-9-19)17(23)21-10-12-22(13-11-21)18(24)25/h2-3,6-7,16,26H,1,4-5,8-13H2,(H,24,25)
InChIKeyOLVDADIUIGCAKA-UHFFFAOYSA-N
MW364.42 g/mol
LogP2.43
Rot. Bonds3

About 4-[2-(2-fluorophenyl)-2-(1-hydroxycyclohexyl)acetyl]piperazine-1-carboxylic acid

4-[2-(2-fluorophenyl)-2-(1-hydroxycyclohexyl)acetyl]piperazine-1-carboxylic acid (PubChem CID 174524081) has the molecular formula C19H25FN2O4 and a molecular weight of 364.42 g/mol. Its IUPAC name is 4-[2-(2-fluorophenyl)-2-(1-hydroxycyclohexyl)acetyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-(2-fluorophenyl)-2-(1-hydroxycyclohexyl)acetyl]piperazine-1-carboxylic acid
PubChem CID174524081
Molecular FormulaC19H25FN2O4
Molecular Weight364.42 g/mol
Exact Mass364.18
IUPAC Name4-[2-(2-fluorophenyl)-2-(1-hydroxycyclohexyl)acetyl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(C(=O)C(c2ccccc2F)C2(O)CCCCC2)CC1
InChIInChI=1S/C19H25FN2O4/c20-15-7-3-2-6-14(15)16(19(26)8-4-1-5-9-19)17(23)21-10-12-22(13-11-21)18(24)25/h2-3,6-7,16,26H,1,4-5,8-13H2,(H,24,25)
InChIKeyOLVDADIUIGCAKA-UHFFFAOYSA-N
XLogP2.43
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2S)-2-(1-hydroxycyclohexyl)-2-[3-(trifluoromethoxy)phenyl]acetyl]piperazine-1-carboxylic acid
CID 174506052
2-(3-ethyl-2-phenylphenyl)-2-(1-hydroxycyclohexyl)-1-piperazin-1-ylethanone
CID 174510592
2-(1-hydroxycyclohexyl)-2-[2-(2-phenylethyl)phenyl]-1-piperazin-1-ylethanone
CID 174510591
4-[(2S)-2-(3-chloro-4-phenylmethoxyphenyl)-2-(1-hydroxycyclohexyl)acetyl]piperazine-1-carboxylic acid
CID 174506002
[(3R)-1-[2-(1-hydroxycyclohexyl)-2-naphthalen-1-ylacetyl]pyrrolidin-3-yl]carbamic acid
CID 68865519
butyl-[1-[2-(1-hydroxycyclohexyl)-2-naphthalen-1-ylacetyl]piperidin-4-yl]carbamic acid
CID 174524452
(2S)-1-[4-(azepan-1-yl)piperidin-1-yl]-2-(2-fluorophenyl)-2-hydroxyethanone
CID 125171393
tert-butyl 4-[2-(3-fluorophenyl)-2-(1-hydroxycyclohexyl)acetyl]piperazine-1-carboxylate
CID 68861742
tert-butyl 4-[2-(1-hydroxycyclohexyl)-2-(4-phenoxyphenyl)acetyl]piperazine-1-carboxylate
CID 68853314
4-[2-(1-hydroxycyclohexyl)-2-[4-(2-phenylethyl)phenyl]ethyl]piperazine-1-carboxylic acid
CID 91024951
azepan-1-yl-[1-(2-fluorophenyl)cyclopentyl]methanone
CID 110436863
2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 146388962

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-fluorophenyl)-2-(1-hydroxycyclohexyl)acetyl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[2-(2-fluorophenyl)-2-(1-hydroxycyclohexyl)acetyl]piperazine-1-carboxylic acid (CID 174524081) is 4-[2-(2-fluorophenyl)-2-(1-hydroxycyclohexyl)acetyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[2-(2-fluorophenyl)-2-(1-hydroxycyclohexyl)acetyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[2-(2-fluorophenyl)-2-(1-hydroxycyclohexyl)acetyl]piperazine-1-carboxylic acid is O=C(O)N1CCN(C(=O)C(c2ccccc2F)C2(O)CCCCC2)CC1.
What is the InChIKey of 4-[2-(2-fluorophenyl)-2-(1-hydroxycyclohexyl)acetyl]piperazine-1-carboxylic acid?
The InChIKey is OLVDADIUIGCAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O4/c20-15-7-3-2-6-14(15)16(19(26)8-4-1-5-9-19)17(23)21-10-12-22(13-11-21)18(24)25/h2-3,6-7,16,26H,1,4-5,8-13H2,(H,24,25).
What are the key properties of 4-[2-(2-fluorophenyl)-2-(1-hydroxycyclohexyl)acetyl]piperazine-1-carboxylic acid?
4-[2-(2-fluorophenyl)-2-(1-hydroxycyclohexyl)acetyl]piperazine-1-carboxylic acid has a molecular weight of 364.42 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-fluorophenyl)-2-(1-hydroxycyclohexyl)acetyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 174524081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).