2-methylpropyl N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)carbamate

C12H21F3N2O2 — CID 43604144

IUPAC2-methylpropyl N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)carbamate
SMILESCC(C)COC(=O)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C12H21F3N2O2/c1-9(2)7-19-11(18)17(8-12(13,14)15)10-3-5-16-6-4-10/h9-10,16H,3-8H2,1-2H3
InChIKeyIOBLMNPVMDNPKD-UHFFFAOYSA-N
MW282.31 g/mol
LogP2.40
Rot. Bonds4

About 2-methylpropyl N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)carbamate

2-methylpropyl N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)carbamate (PubChem CID 43604144) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-methylpropyl N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)carbamate.

Molecular Properties

Compound Name2-methylpropyl N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)carbamate
PubChem CID43604144
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name2-methylpropyl N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)carbamate
SMILESCC(C)COC(=O)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C12H21F3N2O2/c1-9(2)7-19-11(18)17(8-12(13,14)15)10-3-5-16-6-4-10/h9-10,16H,3-8H2,1-2H3
InChIKeyIOBLMNPVMDNPKD-UHFFFAOYSA-N
XLogP2.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpropyl N-(2-methylpropyl)-N-piperidin-4-ylcarbamate
CID 15676966
N-piperidin-4-yl-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide
CID 112602446
2-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pentanamide
CID 43603389
3,3-dimethyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butanamide
CID 43603425
N-cyclopropyl-2-piperidin-4-yloxy-N-(2,2,2-trifluoroethyl)acetamide
CID 63876755
2-methylpropyl N-ethyl-N-[(3R)-piperidin-3-yl]carbamate
CID 162725358
2-methylpropyl N-cyclopentyl-N-methylcarbamate
CID 163485016
tert-butyl N-cyclopropyl-N-(2,2,2-trifluoroethyl)carbamate
CID 63789055
2-methylpropyl N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)carbamate
CID 107493763
3-cyclopentyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 43603427
2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 64850823
2-methylpropyl N-(2-aminoethyl)-N-cyclohexylcarbamate
CID 55242551

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)carbamate?
The IUPAC name of 2-methylpropyl N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)carbamate (CID 43604144) is 2-methylpropyl N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)carbamate.
What is the SMILES notation for 2-methylpropyl N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)carbamate?
The canonical SMILES for 2-methylpropyl N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)carbamate is CC(C)COC(=O)N(CC(F)(F)F)C1CCNCC1.
What is the InChIKey of 2-methylpropyl N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)carbamate?
The InChIKey is IOBLMNPVMDNPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-9(2)7-19-11(18)17(8-12(13,14)15)10-3-5-16-6-4-10/h9-10,16H,3-8H2,1-2H3.
What are the key properties of 2-methylpropyl N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)carbamate?
2-methylpropyl N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)carbamate has a molecular weight of 282.31 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)carbamate is sourced from PubChem (CID 43604144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).