2,2,2-trifluoroethyl N-[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamate

C12H17F3N2O3 — CID 65173925

IUPAC2,2,2-trifluoroethyl N-[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamate
SMILESO=C(NC1CCN(C(=O)C2CC2)CC1)OCC(F)(F)F
InChIInChI=1S/C12H17F3N2O3/c13-12(14,15)7-20-11(19)16-9-3-5-17(6-4-9)10(18)8-1-2-8/h8-9H,1-7H2,(H,16,19)
InChIKeyZWCSJXCQEPSSEE-UHFFFAOYSA-N
MW294.27 g/mol
LogP1.68
Rot. Bonds3

About 2,2,2-trifluoroethyl N-[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamate

2,2,2-trifluoroethyl N-[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamate (PubChem CID 65173925) has the molecular formula C12H17F3N2O3 and a molecular weight of 294.27 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamate
PubChem CID65173925
Molecular FormulaC12H17F3N2O3
Molecular Weight294.27 g/mol
Exact Mass294.12
IUPAC Name2,2,2-trifluoroethyl N-[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamate
SMILESO=C(NC1CCN(C(=O)C2CC2)CC1)OCC(F)(F)F
InChIInChI=1S/C12H17F3N2O3/c13-12(14,15)7-20-11(19)16-9-3-5-17(6-4-9)10(18)8-1-2-8/h8-9H,1-7H2,(H,16,19)
InChIKeyZWCSJXCQEPSSEE-UHFFFAOYSA-N
XLogP1.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoroethyl N-cyclobutylcarbamate
CID 63716209
butyl N-[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamate
CID 108565971
2,2,2-trifluoroethyl N-(1,1-dioxothian-4-yl)carbamate
CID 65173289
2,2,2-trifluoroethyl N-(1-oxothian-4-yl)carbamate
CID 104594560
2,2,2-trifluoroethyl N-cyclopent-3-en-1-ylcarbamate
CID 115695448
2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]pentanamide
CID 43711915
(2S)-2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3,3-dimethylbutanamide
CID 61179355
2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-cyclopropylpropanamide
CID 60865947
2,2,2-trifluoroethyl N-(3-hydroxycyclohexyl)carbamate
CID 61068490
ethyl 4-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate
CID 51165095
phenyl N-[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamate
CID 60725156
cyclopropyl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 43747911

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamate (CID 65173925) is 2,2,2-trifluoroethyl N-[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamate is O=C(NC1CCN(C(=O)C2CC2)CC1)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamate?
The InChIKey is ZWCSJXCQEPSSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O3/c13-12(14,15)7-20-11(19)16-9-3-5-17(6-4-9)10(18)8-1-2-8/h8-9H,1-7H2,(H,16,19).
What are the key properties of 2,2,2-trifluoroethyl N-[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamate?
2,2,2-trifluoroethyl N-[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamate has a molecular weight of 294.27 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 65173925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).