tert-butyl N-[2-(fluoromethyl)-1-methylpiperidin-4-yl]-N-methylcarbamate

C13H25FN2O2 — CID 59854959

IUPACtert-butyl N-[2-(fluoromethyl)-1-methylpiperidin-4-yl]-N-methylcarbamate
SMILESCN1CCC(N(C)C(=O)OC(C)(C)C)CC1CF
InChIInChI=1S/C13H25FN2O2/c1-13(2,3)18-12(17)16(5)10-6-7-15(4)11(8-10)9-14/h10-11H,6-9H2,1-5H3
InChIKeyLBRLRTZHCHZNKE-UHFFFAOYSA-N
MW260.35 g/mol
LogP2.29
Rot. Bonds2

About tert-butyl N-[2-(fluoromethyl)-1-methylpiperidin-4-yl]-N-methylcarbamate

tert-butyl N-[2-(fluoromethyl)-1-methylpiperidin-4-yl]-N-methylcarbamate (PubChem CID 59854959) has the molecular formula C13H25FN2O2 and a molecular weight of 260.35 g/mol. Its IUPAC name is tert-butyl N-[2-(fluoromethyl)-1-methylpiperidin-4-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(fluoromethyl)-1-methylpiperidin-4-yl]-N-methylcarbamate
PubChem CID59854959
Molecular FormulaC13H25FN2O2
Molecular Weight260.35 g/mol
Exact Mass260.19
IUPAC Nametert-butyl N-[2-(fluoromethyl)-1-methylpiperidin-4-yl]-N-methylcarbamate
SMILESCN1CCC(N(C)C(=O)OC(C)(C)C)CC1CF
InChIInChI=1S/C13H25FN2O2/c1-13(2,3)18-12(17)16(5)10-6-7-15(4)11(8-10)9-14/h10-11H,6-9H2,1-5H3
InChIKeyLBRLRTZHCHZNKE-UHFFFAOYSA-N
XLogP2.29
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.35
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-Butyl 4-(methylamino)piperidine-1-carboxylate
CID 15380702
4-Amino-1-Boc-piperidine
CID 1268291
4-N-Boc-4-N-Methyl-aminopiperidine
CID 2756806
N-(tert-butoxycarbonyl)piperidine
CID 7010304
(S)-(+)-N-(Boc)-2-methylpiperidine
CID 11019870
Tert-butyl 2-cyanopiperidine-1-carboxylate
CID 2756784
tert-butyl (3S,4R)-4-amino-3-fluoropiperidine-1-carboxylate
CID 11736104
tert-Butyl 4,4-difluoropiperidine-1-carboxylate
CID 21192511
Tert-butyl 4-isothiocyanatopiperidine-1-carboxylate
CID 58591952
Tert-butyl 4-[(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate
CID 39870957
rac-tert-butyl (3R,5R)-3-amino-5-fluoropiperidine-1-carboxylate
CID 122164103
Tert-butyl 2-(2-aminoethyl)piperidine-1-carboxylate
CID 2756421

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(fluoromethyl)-1-methylpiperidin-4-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-(fluoromethyl)-1-methylpiperidin-4-yl]-N-methylcarbamate (CID 59854959) is tert-butyl N-[2-(fluoromethyl)-1-methylpiperidin-4-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-(fluoromethyl)-1-methylpiperidin-4-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-(fluoromethyl)-1-methylpiperidin-4-yl]-N-methylcarbamate is CN1CCC(N(C)C(=O)OC(C)(C)C)CC1CF.
What is the InChIKey of tert-butyl N-[2-(fluoromethyl)-1-methylpiperidin-4-yl]-N-methylcarbamate?
The InChIKey is LBRLRTZHCHZNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25FN2O2/c1-13(2,3)18-12(17)16(5)10-6-7-15(4)11(8-10)9-14/h10-11H,6-9H2,1-5H3.
What are the key properties of tert-butyl N-[2-(fluoromethyl)-1-methylpiperidin-4-yl]-N-methylcarbamate?
tert-butyl N-[2-(fluoromethyl)-1-methylpiperidin-4-yl]-N-methylcarbamate has a molecular weight of 260.35 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(fluoromethyl)-1-methylpiperidin-4-yl]-N-methylcarbamate is sourced from PubChem (CID 59854959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).