1-[[1-(nitrosomethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine

C11H17F3N2O — CID 177009192

IUPAC1-[[1-(nitrosomethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine
SMILESO=NCC1(CN2CCC(C(F)(F)F)CC2)CC1
InChIInChI=1S/C11H17F3N2O/c12-11(13,14)9-1-5-16(6-2-9)8-10(3-4-10)7-15-17/h9H,1-8H2
InChIKeyRDLHDRAXVVDZJL-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.81
Rot. Bonds4

About 1-[[1-(nitrosomethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine

1-[[1-(nitrosomethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine (PubChem CID 177009192) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is 1-[[1-(nitrosomethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-[[1-(nitrosomethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine
PubChem CID177009192
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC Name1-[[1-(nitrosomethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine
SMILESO=NCC1(CN2CCC(C(F)(F)F)CC2)CC1
InChIInChI=1S/C11H17F3N2O/c12-11(13,14)9-1-5-16(6-2-9)8-10(3-4-10)7-15-17/h9H,1-8H2
InChIKeyRDLHDRAXVVDZJL-UHFFFAOYSA-N
XLogP2.81
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-(Nitrosomethyl)cyclopropyl]methyl]-4-(2,2,2-trifluoroethyl)piperidine
CID 169255862
4,4-Difluoro-1-[[1-(nitrosomethyl)cyclopropyl]methyl]piperidine
CID 172329325
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-(trifluoromethyl)piperidine?
The IUPAC name of 1-[[1-(nitrosomethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine (CID 177009192) is 1-[[1-(nitrosomethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-[[1-(nitrosomethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine?
The canonical SMILES for 1-[[1-(nitrosomethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine is O=NCC1(CN2CCC(C(F)(F)F)CC2)CC1.
What is the InChIKey of 1-[[1-(nitrosomethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine?
The InChIKey is RDLHDRAXVVDZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c12-11(13,14)9-1-5-16(6-2-9)8-10(3-4-10)7-15-17/h9H,1-8H2.
What are the key properties of 1-[[1-(nitrosomethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine?
1-[[1-(nitrosomethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine has a molecular weight of 250.26 g/mol, XLogP of 2.81, 4 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-(trifluoromethyl)piperidine is sourced from PubChem (CID 177009192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).