tert-butyl N-(piperidin-4-ylmethyl)-N-(trifluoromethyl)carbamate

C12H21F3N2O2 — CID 71629089

IUPACtert-butyl N-(piperidin-4-ylmethyl)-N-(trifluoromethyl)carbamate
SMILESCC(C)(C)OC(=O)N(CC1CCNCC1)C(F)(F)F
InChIInChI=1S/C12H21F3N2O2/c1-11(2,3)19-10(18)17(12(13,14)15)8-9-4-6-16-7-5-9/h9,16H,4-8H2,1-3H3
InChIKeyGNGAHLNOAMTCFQ-UHFFFAOYSA-N
MW282.31 g/mol
LogP2.74
Rot. Bonds2

About tert-butyl N-(piperidin-4-ylmethyl)-N-(trifluoromethyl)carbamate

tert-butyl N-(piperidin-4-ylmethyl)-N-(trifluoromethyl)carbamate (PubChem CID 71629089) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is tert-butyl N-(piperidin-4-ylmethyl)-N-(trifluoromethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(piperidin-4-ylmethyl)-N-(trifluoromethyl)carbamate
PubChem CID71629089
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Nametert-butyl N-(piperidin-4-ylmethyl)-N-(trifluoromethyl)carbamate
SMILESCC(C)(C)OC(=O)N(CC1CCNCC1)C(F)(F)F
InChIInChI=1S/C12H21F3N2O2/c1-11(2,3)19-10(18)17(12(13,14)15)8-9-4-6-16-7-5-9/h9,16H,4-8H2,1-3H3
InChIKeyGNGAHLNOAMTCFQ-UHFFFAOYSA-N
XLogP2.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(2-methylpropyl)-N-(piperidin-4-ylmethyl)carbamate
CID 157021829
tert-butyl N-(cyclohexylmethyl)-N-piperidin-4-ylcarbamate
CID 22120289
tert-butyl N-(cyclohexylmethyl)-N-[4-[(2-methylpropan-2-yl)oxycarbonyl-(piperidin-4-ylmethyl)amino]butyl]carbamate
CID 139906636
tert-butyl N-methyl-N-[2-(piperidin-4-ylmethylamino)ethyl]carbamate
CID 107245065
tert-butyl N-ethyl-N-[2-(piperidin-4-ylmethylamino)ethyl]carbamate
CID 107245368
tert-butyl N-methyl-N-(2-pyrrolidin-3-ylethyl)carbamate
CID 53419825
tert-butyl N-cyclopropyl-N-[3-(piperidin-4-ylmethylamino)propyl]carbamate
CID 107242902
tert-butyl N-[2-(2-piperidin-4-ylethylamino)ethyl]carbamate
CID 163448402
tert-butyl N-methyl-N-(piperidin-4-ylamino)carbamate
CID 68876436
tert-butyl N-(2-cyanoethyl)-N-(pyrrolidin-3-ylmethyl)carbamate
CID 134211422
tert-butyl N-(3-fluoropropyl)-N-[(3S)-pyrrolidin-3-yl]carbamate
CID 58365097
butanedioic acid;tert-butyl N-(2-piperidin-4-ylethyl)carbamate
CID 19020689

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(piperidin-4-ylmethyl)-N-(trifluoromethyl)carbamate?
The IUPAC name of tert-butyl N-(piperidin-4-ylmethyl)-N-(trifluoromethyl)carbamate (CID 71629089) is tert-butyl N-(piperidin-4-ylmethyl)-N-(trifluoromethyl)carbamate.
What is the SMILES notation for tert-butyl N-(piperidin-4-ylmethyl)-N-(trifluoromethyl)carbamate?
The canonical SMILES for tert-butyl N-(piperidin-4-ylmethyl)-N-(trifluoromethyl)carbamate is CC(C)(C)OC(=O)N(CC1CCNCC1)C(F)(F)F.
What is the InChIKey of tert-butyl N-(piperidin-4-ylmethyl)-N-(trifluoromethyl)carbamate?
The InChIKey is GNGAHLNOAMTCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-11(2,3)19-10(18)17(12(13,14)15)8-9-4-6-16-7-5-9/h9,16H,4-8H2,1-3H3.
What are the key properties of tert-butyl N-(piperidin-4-ylmethyl)-N-(trifluoromethyl)carbamate?
tert-butyl N-(piperidin-4-ylmethyl)-N-(trifluoromethyl)carbamate has a molecular weight of 282.31 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(piperidin-4-ylmethyl)-N-(trifluoromethyl)carbamate is sourced from PubChem (CID 71629089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).