1-[[1-(nitrosomethyl)cyclopropyl]methyl]-4-(2,2,2-trifluoroethyl)piperidine

C12H19F3N2O — CID 169255862

IUPAC1-[[1-(nitrosomethyl)cyclopropyl]methyl]-4-(2,2,2-trifluoroethyl)piperidine
SMILESO=NCC1(CN2CCC(CC(F)(F)F)CC2)CC1
InChIInChI=1S/C12H19F3N2O/c13-12(14,15)7-10-1-5-17(6-2-10)9-11(3-4-11)8-16-18/h10H,1-9H2
InChIKeyVVGKFIQGLQSKAV-UHFFFAOYSA-N
MW264.29 g/mol
LogP3.20
Rot. Bonds5

About 1-[[1-(nitrosomethyl)cyclopropyl]methyl]-4-(2,2,2-trifluoroethyl)piperidine

1-[[1-(nitrosomethyl)cyclopropyl]methyl]-4-(2,2,2-trifluoroethyl)piperidine (PubChem CID 169255862) has the molecular formula C12H19F3N2O and a molecular weight of 264.29 g/mol. Its IUPAC name is 1-[[1-(nitrosomethyl)cyclopropyl]methyl]-4-(2,2,2-trifluoroethyl)piperidine.

Molecular Properties

Compound Name1-[[1-(nitrosomethyl)cyclopropyl]methyl]-4-(2,2,2-trifluoroethyl)piperidine
PubChem CID169255862
Molecular FormulaC12H19F3N2O
Molecular Weight264.29 g/mol
Exact Mass264.14
IUPAC Name1-[[1-(nitrosomethyl)cyclopropyl]methyl]-4-(2,2,2-trifluoroethyl)piperidine
SMILESO=NCC1(CN2CCC(CC(F)(F)F)CC2)CC1
InChIInChI=1S/C12H19F3N2O/c13-12(14,15)7-10-1-5-17(6-2-10)9-11(3-4-11)8-16-18/h10H,1-9H2
InChIKeyVVGKFIQGLQSKAV-UHFFFAOYSA-N
XLogP3.20
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-Difluoro-1-[[1-(nitrosomethyl)cyclopropyl]methyl]piperidine
CID 172329325
1-[[1-(Nitrosomethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine
CID 177009192
4-Fluoro-1-[[1-(nitrosomethyl)cyclopropyl]methyl]piperidine
CID 172328272
Ethane;4-fluoro-1-[[1-(nitrosomethyl)cyclopropyl]methyl]piperidine
CID 172328271

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(nitrosomethyl)cyclopropyl]methyl]-4-(2,2,2-trifluoroethyl)piperidine?
The IUPAC name of 1-[[1-(nitrosomethyl)cyclopropyl]methyl]-4-(2,2,2-trifluoroethyl)piperidine (CID 169255862) is 1-[[1-(nitrosomethyl)cyclopropyl]methyl]-4-(2,2,2-trifluoroethyl)piperidine.
What is the SMILES notation for 1-[[1-(nitrosomethyl)cyclopropyl]methyl]-4-(2,2,2-trifluoroethyl)piperidine?
The canonical SMILES for 1-[[1-(nitrosomethyl)cyclopropyl]methyl]-4-(2,2,2-trifluoroethyl)piperidine is O=NCC1(CN2CCC(CC(F)(F)F)CC2)CC1.
What is the InChIKey of 1-[[1-(nitrosomethyl)cyclopropyl]methyl]-4-(2,2,2-trifluoroethyl)piperidine?
The InChIKey is VVGKFIQGLQSKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O/c13-12(14,15)7-10-1-5-17(6-2-10)9-11(3-4-11)8-16-18/h10H,1-9H2.
What are the key properties of 1-[[1-(nitrosomethyl)cyclopropyl]methyl]-4-(2,2,2-trifluoroethyl)piperidine?
1-[[1-(nitrosomethyl)cyclopropyl]methyl]-4-(2,2,2-trifluoroethyl)piperidine has a molecular weight of 264.29 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(nitrosomethyl)cyclopropyl]methyl]-4-(2,2,2-trifluoroethyl)piperidine is sourced from PubChem (CID 169255862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).