ethyl N-[1-[(3-fluorophenyl)methyl]-5-methylpiperidin-3-yl]carbamate

C16H23FN2O2 — CID 112543752

IUPACethyl N-[1-[(3-fluorophenyl)methyl]-5-methylpiperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CC(C)CN(Cc2cccc(F)c2)C1
InChIInChI=1S/C16H23FN2O2/c1-3-21-16(20)18-15-7-12(2)9-19(11-15)10-13-5-4-6-14(17)8-13/h4-6,8,12,15H,3,7,9-11H2,1-2H3,(H,18,20)
InChIKeyNDPVZUYAISDSRO-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.78
Rot. Bonds4

About ethyl N-[1-[(3-fluorophenyl)methyl]-5-methylpiperidin-3-yl]carbamate

ethyl N-[1-[(3-fluorophenyl)methyl]-5-methylpiperidin-3-yl]carbamate (PubChem CID 112543752) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is ethyl N-[1-[(3-fluorophenyl)methyl]-5-methylpiperidin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-[(3-fluorophenyl)methyl]-5-methylpiperidin-3-yl]carbamate
PubChem CID112543752
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Nameethyl N-[1-[(3-fluorophenyl)methyl]-5-methylpiperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CC(C)CN(Cc2cccc(F)c2)C1
InChIInChI=1S/C16H23FN2O2/c1-3-21-16(20)18-15-7-12(2)9-19(11-15)10-13-5-4-6-14(17)8-13/h4-6,8,12,15H,3,7,9-11H2,1-2H3,(H,18,20)
InChIKeyNDPVZUYAISDSRO-UHFFFAOYSA-N
XLogP2.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(3-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-2,2-dimethylpropanamide
CID 112542187
ethyl N-[5-methyl-1-[(4-methylphenyl)methyl]piperidin-3-yl]carbamate
CID 112543749
N-(2,2-dimethylpropyl)-1-[(3-fluorophenyl)methyl]-5-methylpiperidin-3-amine
CID 83994969
tert-butyl N-[1-[(4-fluorophenyl)methyl]-5-methylpiperidin-3-yl]carbamate
CID 112544389
ethyl N-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]carbamate
CID 47906774
benzyl N-[1-(cyclopropylmethyl)-5-methylpiperidin-3-yl]carbamate
CID 112545084
ethyl N-(5-methyl-1-phenylpiperidin-3-yl)carbamate
CID 112543896
methyl N-[1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]carbamate
CID 112543111
ethyl 4-[[1-[(3-fluorophenyl)methyl]piperidine-3-carbonyl]amino]piperidine-1-carboxylate
CID 47802432
tert-butyl N-[1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]carbamate
CID 112544390
N-(cyclobutylmethyl)-5-methyl-1-[(3-methylphenyl)methyl]piperidin-3-amine
CID 83997030
3-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]benzoic acid
CID 40801162

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-[(3-fluorophenyl)methyl]-5-methylpiperidin-3-yl]carbamate?
The IUPAC name of ethyl N-[1-[(3-fluorophenyl)methyl]-5-methylpiperidin-3-yl]carbamate (CID 112543752) is ethyl N-[1-[(3-fluorophenyl)methyl]-5-methylpiperidin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[1-[(3-fluorophenyl)methyl]-5-methylpiperidin-3-yl]carbamate?
The canonical SMILES for ethyl N-[1-[(3-fluorophenyl)methyl]-5-methylpiperidin-3-yl]carbamate is CCOC(=O)NC1CC(C)CN(Cc2cccc(F)c2)C1.
What is the InChIKey of ethyl N-[1-[(3-fluorophenyl)methyl]-5-methylpiperidin-3-yl]carbamate?
The InChIKey is NDPVZUYAISDSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-3-21-16(20)18-15-7-12(2)9-19(11-15)10-13-5-4-6-14(17)8-13/h4-6,8,12,15H,3,7,9-11H2,1-2H3,(H,18,20).
What are the key properties of ethyl N-[1-[(3-fluorophenyl)methyl]-5-methylpiperidin-3-yl]carbamate?
ethyl N-[1-[(3-fluorophenyl)methyl]-5-methylpiperidin-3-yl]carbamate has a molecular weight of 294.37 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-[(3-fluorophenyl)methyl]-5-methylpiperidin-3-yl]carbamate is sourced from PubChem (CID 112543752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).