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

C18H27FN2O2 — CID 112544390

IUPACtert-butyl N-[1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]carbamate
SMILESCC1CC(NC(=O)OC(C)(C)C)CN(Cc2ccccc2F)C1
InChIInChI=1S/C18H27FN2O2/c1-13-9-15(20-17(22)23-18(2,3)4)12-21(10-13)11-14-7-5-6-8-16(14)19/h5-8,13,15H,9-12H2,1-4H3,(H,20,22)
InChIKeyHLCDGFYTRDOVLF-UHFFFAOYSA-N
MW322.42 g/mol
LogP3.56
Rot. Bonds3

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

tert-butyl N-[1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]carbamate (PubChem CID 112544390) has the molecular formula C18H27FN2O2 and a molecular weight of 322.42 g/mol. Its IUPAC name is tert-butyl N-[1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]carbamate
PubChem CID112544390
Molecular FormulaC18H27FN2O2
Molecular Weight322.42 g/mol
Exact Mass322.21
IUPAC Nametert-butyl N-[1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]carbamate
SMILESCC1CC(NC(=O)OC(C)(C)C)CN(Cc2ccccc2F)C1
InChIInChI=1S/C18H27FN2O2/c1-13-9-15(20-17(22)23-18(2,3)4)12-21(10-13)11-14-7-5-6-8-16(14)19/h5-8,13,15H,9-12H2,1-4H3,(H,20,22)
InChIKeyHLCDGFYTRDOVLF-UHFFFAOYSA-N
XLogP3.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]carbamate
CID 112543111
tert-butyl N-[1-[(4-fluorophenyl)methyl]-5-methylpiperidin-3-yl]carbamate
CID 112544389
tert-butyl N-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]carbamate
CID 75994004
tert-butyl N-[1-[(2-bromophenyl)methyl]pyrrolidin-3-yl]carbamate
CID 75994003
3-fluoro-4-[[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]methyl]benzoic acid
CID 134548411
methyl 3-[3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate
CID 112544763
tert-butyl N-[1-(2,5-difluorophenyl)-5-methylpiperidin-3-yl]carbamate
CID 112544579
tert-butyl N-[2-[(2-fluorophenyl)methylamino]cyclopentyl]carbamate
CID 104844649
tert-butyl N-[(3S)-1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-yl]carbamate
CID 97174166
tert-butyl N-[(3R)-1-benzylpyrrolidin-3-yl]carbamate
CID 10286119
tert-butyl N-[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-4-yl]carbamate
CID 60512993
tert-butyl N-[1-(8-fluoroquinoxalin-5-yl)-5-methylpiperidin-3-yl]carbamate
CID 129276893

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]carbamate (CID 112544390) is tert-butyl N-[1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]carbamate is CC1CC(NC(=O)OC(C)(C)C)CN(Cc2ccccc2F)C1.
What is the InChIKey of tert-butyl N-[1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]carbamate?
The InChIKey is HLCDGFYTRDOVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O2/c1-13-9-15(20-17(22)23-18(2,3)4)12-21(10-13)11-14-7-5-6-8-16(14)19/h5-8,13,15H,9-12H2,1-4H3,(H,20,22).
What are the key properties of tert-butyl N-[1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]carbamate?
tert-butyl N-[1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]carbamate has a molecular weight of 322.42 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]carbamate is sourced from PubChem (CID 112544390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).