methyl N-[1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]carbamate

C15H21FN2O2 — CID 112543111

IUPACmethyl N-[1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]carbamate
SMILESCOC(=O)NC1CC(C)CN(Cc2ccccc2F)C1
InChIInChI=1S/C15H21FN2O2/c1-11-7-13(17-15(19)20-2)10-18(8-11)9-12-5-3-4-6-14(12)16/h3-6,11,13H,7-10H2,1-2H3,(H,17,19)
InChIKeyDSCMANVMIOFMPT-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.39
Rot. Bonds3

About methyl N-[1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]carbamate

methyl N-[1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]carbamate (PubChem CID 112543111) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is methyl N-[1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]carbamate
PubChem CID112543111
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Namemethyl N-[1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]carbamate
SMILESCOC(=O)NC1CC(C)CN(Cc2ccccc2F)C1
InChIInChI=1S/C15H21FN2O2/c1-11-7-13(17-15(19)20-2)10-18(8-11)9-12-5-3-4-6-14(12)16/h3-6,11,13H,7-10H2,1-2H3,(H,17,19)
InChIKeyDSCMANVMIOFMPT-UHFFFAOYSA-N
XLogP2.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]carbamate
CID 112544390
tert-butyl N-[1-[(4-fluorophenyl)methyl]-5-methylpiperidin-3-yl]carbamate
CID 112544389
ethyl N-[1-[(3-fluorophenyl)methyl]-5-methylpiperidin-3-yl]carbamate
CID 112543752
methyl 3-[3-(methoxycarbonylamino)-5-methylpiperidin-1-yl]propanoate
CID 112543484
butyl N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]carbamate
CID 56912606
ethyl N-[5-methyl-1-[(4-methylphenyl)methyl]piperidin-3-yl]carbamate
CID 112543749
methyl 4-[[(3S,5R)-4-[(2-fluorophenyl)methyl]-3,5-dimethylpiperazin-1-yl]methyl]benzoate
CID 118367045
(3R,4R)-1-[(2-fluorophenyl)methyl]-4-methoxypyrrolidin-3-ol
CID 126793647
N-[2-(2-fluorophenyl)ethyl]-3,5-dimethylpiperidine-1-carboxamide
CID 108900039
benzyl N-[1-(cyclopropylmethyl)-5-methylpiperidin-3-yl]carbamate
CID 112545084
methyl 4-[(2-fluorophenyl)methyl]morpholine-2-carboxylate
CID 78926315
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-(methoxymethyl)cyclobutane-1-carboxamide
CID 56892586

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]carbamate?
The IUPAC name of methyl N-[1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]carbamate (CID 112543111) is methyl N-[1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]carbamate.
What is the SMILES notation for methyl N-[1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]carbamate?
The canonical SMILES for methyl N-[1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]carbamate is COC(=O)NC1CC(C)CN(Cc2ccccc2F)C1.
What is the InChIKey of methyl N-[1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]carbamate?
The InChIKey is DSCMANVMIOFMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-11-7-13(17-15(19)20-2)10-18(8-11)9-12-5-3-4-6-14(12)16/h3-6,11,13H,7-10H2,1-2H3,(H,17,19).
What are the key properties of methyl N-[1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]carbamate?
methyl N-[1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]carbamate has a molecular weight of 280.34 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]carbamate is sourced from PubChem (CID 112543111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).