tert-butyl N-[(4,4-difluoropiperidin-3-yl)methyl]-N-methylcarbamate

C12H22F2N2O2 — CID 142528438

IUPACtert-butyl N-[(4,4-difluoropiperidin-3-yl)methyl]-N-methylcarbamate
SMILESCN(CC1CNCCC1(F)F)C(=O)OC(C)(C)C
InChIInChI=1S/C12H22F2N2O2/c1-11(2,3)18-10(17)16(4)8-9-7-15-6-5-12(9,13)14/h9,15H,5-8H2,1-4H3
InChIKeySYOHGUBXNPFXAL-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.10
Rot. Bonds2

About tert-butyl N-[(4,4-difluoropiperidin-3-yl)methyl]-N-methylcarbamate

tert-butyl N-[(4,4-difluoropiperidin-3-yl)methyl]-N-methylcarbamate (PubChem CID 142528438) has the molecular formula C12H22F2N2O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is tert-butyl N-[(4,4-difluoropiperidin-3-yl)methyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(4,4-difluoropiperidin-3-yl)methyl]-N-methylcarbamate
PubChem CID142528438
Molecular FormulaC12H22F2N2O2
Molecular Weight264.32 g/mol
Exact Mass264.16
IUPAC Nametert-butyl N-[(4,4-difluoropiperidin-3-yl)methyl]-N-methylcarbamate
SMILESCN(CC1CNCCC1(F)F)C(=O)OC(C)(C)C
InChIInChI=1S/C12H22F2N2O2/c1-11(2,3)18-10(17)16(4)8-9-7-15-6-5-12(9,13)14/h9,15H,5-8H2,1-4H3
InChIKeySYOHGUBXNPFXAL-UHFFFAOYSA-N
XLogP2.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Boc-3-(aminomethyl)piperidine
CID 2756483
1-Boc-4-(aminomethyl)piperidine
CID 736817
tert-Butyl (3S)-3-(aminomethyl)piperidine-1-carboxylate
CID 1502022
tert-butyl (3S,4R)-4-amino-3-fluoropiperidine-1-carboxylate
CID 11736104
tert-butyl N-[(piperidin-3-yl)methyl]carbamate
CID 2756030
tert-butyl N-methyl-N-(piperidin-4-ylmethyl)carbamate
CID 23004743
Tert-butyl 4-[(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate
CID 39870957
1-Piperidinecarboxylic acid, 5-amino-3,3-difluoro-, 1,1-dimethylethyl ester
CID 72207300
tert-Butyl 4-((methylamino)methyl)piperidine-1-carboxylate
CID 21934652
tert-butyl N-methyl-N-[(piperidin-3-yl)methyl]carbamate
CID 23004744
(S)-tert-Butyl (piperidin-3-ylmethyl)carbamate
CID 1501847
(R)-tert-Butyl (piperidin-3-ylmethyl)carbamate
CID 1501848

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4,4-difluoropiperidin-3-yl)methyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[(4,4-difluoropiperidin-3-yl)methyl]-N-methylcarbamate (CID 142528438) is tert-butyl N-[(4,4-difluoropiperidin-3-yl)methyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[(4,4-difluoropiperidin-3-yl)methyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[(4,4-difluoropiperidin-3-yl)methyl]-N-methylcarbamate is CN(CC1CNCCC1(F)F)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(4,4-difluoropiperidin-3-yl)methyl]-N-methylcarbamate?
The InChIKey is SYOHGUBXNPFXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2O2/c1-11(2,3)18-10(17)16(4)8-9-7-15-6-5-12(9,13)14/h9,15H,5-8H2,1-4H3.
What are the key properties of tert-butyl N-[(4,4-difluoropiperidin-3-yl)methyl]-N-methylcarbamate?
tert-butyl N-[(4,4-difluoropiperidin-3-yl)methyl]-N-methylcarbamate has a molecular weight of 264.32 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4,4-difluoropiperidin-3-yl)methyl]-N-methylcarbamate is sourced from PubChem (CID 142528438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).