4-propan-2-yl-1-[1-[1-(trifluoromethyl)cyclopropyl]ethenyl]piperidine

C14H22F3N — CID 122630884

IUPAC4-propan-2-yl-1-[1-[1-(trifluoromethyl)cyclopropyl]ethenyl]piperidine
SMILESC=C(N1CCC(C(C)C)CC1)C1(C(F)(F)F)CC1
InChIInChI=1S/C14H22F3N/c1-10(2)12-4-8-18(9-5-12)11(3)13(6-7-13)14(15,16)17/h10,12H,3-9H2,1-2H3
InChIKeyBCHVLQNRGKALSX-UHFFFAOYSA-N
MW261.33 g/mol
LogP4.21
Rot. Bonds3

About 4-propan-2-yl-1-[1-[1-(trifluoromethyl)cyclopropyl]ethenyl]piperidine

4-propan-2-yl-1-[1-[1-(trifluoromethyl)cyclopropyl]ethenyl]piperidine (PubChem CID 122630884) has the molecular formula C14H22F3N and a molecular weight of 261.33 g/mol. Its IUPAC name is 4-propan-2-yl-1-[1-[1-(trifluoromethyl)cyclopropyl]ethenyl]piperidine.

Molecular Properties

Compound Name4-propan-2-yl-1-[1-[1-(trifluoromethyl)cyclopropyl]ethenyl]piperidine
PubChem CID122630884
Molecular FormulaC14H22F3N
Molecular Weight261.33 g/mol
Exact Mass261.17
IUPAC Name4-propan-2-yl-1-[1-[1-(trifluoromethyl)cyclopropyl]ethenyl]piperidine
SMILESC=C(N1CCC(C(C)C)CC1)C1(C(F)(F)F)CC1
InChIInChI=1S/C14H22F3N/c1-10(2)12-4-8-18(9-5-12)11(3)13(6-7-13)14(15,16)17/h10,12H,3-9H2,1-2H3
InChIKeyBCHVLQNRGKALSX-UHFFFAOYSA-N
XLogP4.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(Difluoromethyl)-1-(3-methylbut-1-en-2-yl)piperidine
CID 145027172
2,2-Difluoro-4-propan-2-yl-1-prop-1-en-2-ylpiperidine
CID 155037099
2-Methylidene-1-propan-2-yl-3-(trifluoromethyl)piperidine
CID 171846409
3-(4-Fluoropent-1-en-2-yl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane
CID 174259994
1-But-1-en-2-yl-3-fluoro-3,4-dimethylpiperidine
CID 177156229
1-But-1-en-2-yl-3,3-difluoro-4-methylpiperidine
CID 177156230
3-Propan-2-yl-1-(4,4,4-trifluorobut-1-en-2-yl)piperidine
CID 159243067
1-(3,3-Difluoroprop-1-en-2-yl)-4-propan-2-ylpiperidine
CID 169182355
4-Tert-butyl-1-(1-cyclopropylethenyl)piperidine
CID 58346894
1-(3-Cyclopropylprop-1-en-2-yl)-4-propan-2-ylpiperidine
CID 130327887
1-(3,3-Difluoroprop-1-en-2-yl)-4-propan-2-ylpiperidine;ethane
CID 169182354
1,3,3,4-Tetramethyl-2-methylidenepiperidine
CID 169956589

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1-[1-[1-(trifluoromethyl)cyclopropyl]ethenyl]piperidine?
The IUPAC name of 4-propan-2-yl-1-[1-[1-(trifluoromethyl)cyclopropyl]ethenyl]piperidine (CID 122630884) is 4-propan-2-yl-1-[1-[1-(trifluoromethyl)cyclopropyl]ethenyl]piperidine.
What is the SMILES notation for 4-propan-2-yl-1-[1-[1-(trifluoromethyl)cyclopropyl]ethenyl]piperidine?
The canonical SMILES for 4-propan-2-yl-1-[1-[1-(trifluoromethyl)cyclopropyl]ethenyl]piperidine is C=C(N1CCC(C(C)C)CC1)C1(C(F)(F)F)CC1.
What is the InChIKey of 4-propan-2-yl-1-[1-[1-(trifluoromethyl)cyclopropyl]ethenyl]piperidine?
The InChIKey is BCHVLQNRGKALSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N/c1-10(2)12-4-8-18(9-5-12)11(3)13(6-7-13)14(15,16)17/h10,12H,3-9H2,1-2H3.
What are the key properties of 4-propan-2-yl-1-[1-[1-(trifluoromethyl)cyclopropyl]ethenyl]piperidine?
4-propan-2-yl-1-[1-[1-(trifluoromethyl)cyclopropyl]ethenyl]piperidine has a molecular weight of 261.33 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1-[1-[1-(trifluoromethyl)cyclopropyl]ethenyl]piperidine is sourced from PubChem (CID 122630884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).