ethyl N-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]carbamate

C16H23FN2O3 — CID 110892585

IUPACethyl N-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CCCN(CC(O)c2ccccc2F)C1
InChIInChI=1S/C16H23FN2O3/c1-2-22-16(21)18-12-6-5-9-19(10-12)11-15(20)13-7-3-4-8-14(13)17/h3-4,7-8,12,15,20H,2,5-6,9-11H2,1H3,(H,18,21)
InChIKeyVIMLFDQAQOVFCS-UHFFFAOYSA-N
MW310.37 g/mol
LogP2.07
Rot. Bonds5

About ethyl N-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]carbamate

ethyl N-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]carbamate (PubChem CID 110892585) has the molecular formula C16H23FN2O3 and a molecular weight of 310.37 g/mol. Its IUPAC name is ethyl N-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]carbamate
PubChem CID110892585
Molecular FormulaC16H23FN2O3
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC Nameethyl N-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CCCN(CC(O)c2ccccc2F)C1
InChIInChI=1S/C16H23FN2O3/c1-2-22-16(21)18-12-6-5-9-19(10-12)11-15(20)13-7-3-4-8-14(13)17/h3-4,7-8,12,15,20H,2,5-6,9-11H2,1H3,(H,18,21)
InChIKeyVIMLFDQAQOVFCS-UHFFFAOYSA-N
XLogP2.07
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]propanamide
CID 110911087
ethyl N-[1-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]piperidin-3-yl]carbamate
CID 111564968
ethyl N-[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-3-yl]carbamate
CID 111476618
ethyl 4-[2-(2-fluorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate
CID 110887601
butyl N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]carbamate
CID 56912606
1-(2-fluorophenyl)-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethanol
CID 110898564
1-(2-fluorophenyl)-2-(3-propylpyrrolidin-1-yl)ethanol
CID 113246642
N-[1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]piperidin-3-yl]propanamide
CID 110911083
ethyl 4-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]piperidine-1-carboxylate
CID 110887734
2-(4-ethyl-1,4-diazepan-1-yl)-1-(2-fluorophenyl)ethanol
CID 111102980
2-[4-(cyclohexylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)ethanol
CID 110908424
1-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide
CID 128976142

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]carbamate?
The IUPAC name of ethyl N-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]carbamate (CID 110892585) is ethyl N-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]carbamate?
The canonical SMILES for ethyl N-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]carbamate is CCOC(=O)NC1CCCN(CC(O)c2ccccc2F)C1.
What is the InChIKey of ethyl N-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]carbamate?
The InChIKey is VIMLFDQAQOVFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3/c1-2-22-16(21)18-12-6-5-9-19(10-12)11-15(20)13-7-3-4-8-14(13)17/h3-4,7-8,12,15,20H,2,5-6,9-11H2,1H3,(H,18,21).
What are the key properties of ethyl N-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]carbamate?
ethyl N-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]carbamate has a molecular weight of 310.37 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]carbamate is sourced from PubChem (CID 110892585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).