4-propan-2-yl-1-[(3Z)-4-(trifluoromethyl)hexa-1,3,5-trien-3-yl]piperidine

C15H22F3N — CID 176552593

IUPAC4-propan-2-yl-1-[(3Z)-4-(trifluoromethyl)hexa-1,3,5-trien-3-yl]piperidine
SMILESC=C/C(=C(\C=C)C(F)(F)F)N1CCC(C(C)C)CC1
InChIInChI=1S/C15H22F3N/c1-5-13(15(16,17)18)14(6-2)19-9-7-12(8-10-19)11(3)4/h5-6,11-12H,1-2,7-10H2,3-4H3/b14-13-
InChIKeyUHEGZKSPTFBZTK-YPKPFQOOSA-N
MW273.34 g/mol
LogP4.54
Rot. Bonds4

About 4-propan-2-yl-1-[(3Z)-4-(trifluoromethyl)hexa-1,3,5-trien-3-yl]piperidine

4-propan-2-yl-1-[(3Z)-4-(trifluoromethyl)hexa-1,3,5-trien-3-yl]piperidine (PubChem CID 176552593) has the molecular formula C15H22F3N and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-propan-2-yl-1-[(3Z)-4-(trifluoromethyl)hexa-1,3,5-trien-3-yl]piperidine.

Molecular Properties

Compound Name4-propan-2-yl-1-[(3Z)-4-(trifluoromethyl)hexa-1,3,5-trien-3-yl]piperidine
PubChem CID176552593
Molecular FormulaC15H22F3N
Molecular Weight273.34 g/mol
Exact Mass273.17
IUPAC Name4-propan-2-yl-1-[(3Z)-4-(trifluoromethyl)hexa-1,3,5-trien-3-yl]piperidine
SMILESC=C/C(=C(\C=C)C(F)(F)F)N1CCC(C(C)C)CC1
InChIInChI=1S/C15H22F3N/c1-5-13(15(16,17)18)14(6-2)19-9-7-12(8-10-19)11(3)4/h5-6,11-12H,1-2,7-10H2,3-4H3/b14-13-
InChIKeyUHEGZKSPTFBZTK-YPKPFQOOSA-N
XLogP4.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1-[(3Z)-4-(trifluoromethyl)hexa-1,3,5-trien-3-yl]piperidine?
The IUPAC name of 4-propan-2-yl-1-[(3Z)-4-(trifluoromethyl)hexa-1,3,5-trien-3-yl]piperidine (CID 176552593) is 4-propan-2-yl-1-[(3Z)-4-(trifluoromethyl)hexa-1,3,5-trien-3-yl]piperidine.
What is the SMILES notation for 4-propan-2-yl-1-[(3Z)-4-(trifluoromethyl)hexa-1,3,5-trien-3-yl]piperidine?
The canonical SMILES for 4-propan-2-yl-1-[(3Z)-4-(trifluoromethyl)hexa-1,3,5-trien-3-yl]piperidine is C=C/C(=C(\C=C)C(F)(F)F)N1CCC(C(C)C)CC1.
What is the InChIKey of 4-propan-2-yl-1-[(3Z)-4-(trifluoromethyl)hexa-1,3,5-trien-3-yl]piperidine?
The InChIKey is UHEGZKSPTFBZTK-YPKPFQOOSA-N. The full InChI is InChI=1S/C15H22F3N/c1-5-13(15(16,17)18)14(6-2)19-9-7-12(8-10-19)11(3)4/h5-6,11-12H,1-2,7-10H2,3-4H3/b14-13-.
What are the key properties of 4-propan-2-yl-1-[(3Z)-4-(trifluoromethyl)hexa-1,3,5-trien-3-yl]piperidine?
4-propan-2-yl-1-[(3Z)-4-(trifluoromethyl)hexa-1,3,5-trien-3-yl]piperidine has a molecular weight of 273.34 g/mol, XLogP of 4.54, 4 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-[(3Z)-4-(trifluoromethyl)hexa-1,3,5-trien-3-yl]piperidine is sourced from PubChem (CID 176552593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).