(4Z)-1,3-dimethyl-4-[(E)-3-(trifluoromethyl)pent-2-enylidene]piperidine

C13H20F3N — CID 143866509

IUPAC(4Z)-1,3-dimethyl-4-[(E)-3-(trifluoromethyl)pent-2-enylidene]piperidine
SMILESCC/C(=C\C=C1\CCN(C)CC1C)C(F)(F)F
InChIInChI=1S/C13H20F3N/c1-4-12(13(14,15)16)6-5-11-7-8-17(3)9-10(11)2/h5-6,10H,4,7-9H2,1-3H3/b11-5-,12-6+
InChIKeySULDPKAHFKYIOT-JTAXDKCCSA-N
MW247.30 g/mol
LogP3.78
Rot. Bonds2

About (4Z)-1,3-dimethyl-4-[(E)-3-(trifluoromethyl)pent-2-enylidene]piperidine

(4Z)-1,3-dimethyl-4-[(E)-3-(trifluoromethyl)pent-2-enylidene]piperidine (PubChem CID 143866509) has the molecular formula C13H20F3N and a molecular weight of 247.30 g/mol. Its IUPAC name is (4Z)-1,3-dimethyl-4-[(E)-3-(trifluoromethyl)pent-2-enylidene]piperidine.

Molecular Properties

Compound Name(4Z)-1,3-dimethyl-4-[(E)-3-(trifluoromethyl)pent-2-enylidene]piperidine
PubChem CID143866509
Molecular FormulaC13H20F3N
Molecular Weight247.30 g/mol
Exact Mass247.15
IUPAC Name(4Z)-1,3-dimethyl-4-[(E)-3-(trifluoromethyl)pent-2-enylidene]piperidine
SMILESCC/C(=C\C=C1\CCN(C)CC1C)C(F)(F)F
InChIInChI=1S/C13H20F3N/c1-4-12(13(14,15)16)6-5-11-7-8-17(3)9-10(11)2/h5-6,10H,4,7-9H2,1-3H3/b11-5-,12-6+
InChIKeySULDPKAHFKYIOT-JTAXDKCCSA-N
XLogP3.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2,6-Difluorocyclohexa-2,4-dien-1-yl)methyl]piperidine
CID 66807098
1-[2-(4-Fluorocyclohexa-1,5-dien-1-yl)ethyl]-4-methylpiperidine
CID 70819928
2-methyl-6-(trifluoromethyl)-3,4,4a,8a-tetrahydro-1H-isoquinoline
CID 70836536
(8aS)-2-methyl-6-(trifluoromethyl)-3,4,4a,8a-tetrahydro-1H-isoquinoline
CID 70836557
1-Ethyl-4-[4-fluoro-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperidine
CID 70954594
1-[(2E,3Z)-2-(2-fluoroethylidene)hexa-3,5-dienyl]-4-methylpiperidine
CID 89297752
1-[(4E,6Z,8E)-6-methyl-8-(trifluoromethyl)deca-4,6,8-trienyl]piperidine
CID 89355344
2-ethyl-8-(trifluoromethyl)-3,4,8,8a-tetrahydro-1H-isoquinoline
CID 89514082
2-ethyl-6-fluoro-3,4,8,8a-tetrahydro-1H-isoquinoline
CID 89514110
1-Methyl-4-[2-(trifluoromethyl)cyclohexa-2,5-dien-1-yl]piperidine
CID 91802982
4-(4-Fluorocyclohexa-1,3-dien-1-yl)-1-methylpiperidine
CID 118422995
4-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]-1-methylpiperidine
CID 121306892

Frequently Asked Questions

What is the IUPAC name of (4Z)-1,3-dimethyl-4-[(E)-3-(trifluoromethyl)pent-2-enylidene]piperidine?
The IUPAC name of (4Z)-1,3-dimethyl-4-[(E)-3-(trifluoromethyl)pent-2-enylidene]piperidine (CID 143866509) is (4Z)-1,3-dimethyl-4-[(E)-3-(trifluoromethyl)pent-2-enylidene]piperidine.
What is the SMILES notation for (4Z)-1,3-dimethyl-4-[(E)-3-(trifluoromethyl)pent-2-enylidene]piperidine?
The canonical SMILES for (4Z)-1,3-dimethyl-4-[(E)-3-(trifluoromethyl)pent-2-enylidene]piperidine is CC/C(=C\C=C1\CCN(C)CC1C)C(F)(F)F.
What is the InChIKey of (4Z)-1,3-dimethyl-4-[(E)-3-(trifluoromethyl)pent-2-enylidene]piperidine?
The InChIKey is SULDPKAHFKYIOT-JTAXDKCCSA-N. The full InChI is InChI=1S/C13H20F3N/c1-4-12(13(14,15)16)6-5-11-7-8-17(3)9-10(11)2/h5-6,10H,4,7-9H2,1-3H3/b11-5-,12-6+.
What are the key properties of (4Z)-1,3-dimethyl-4-[(E)-3-(trifluoromethyl)pent-2-enylidene]piperidine?
(4Z)-1,3-dimethyl-4-[(E)-3-(trifluoromethyl)pent-2-enylidene]piperidine has a molecular weight of 247.30 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-1,3-dimethyl-4-[(E)-3-(trifluoromethyl)pent-2-enylidene]piperidine is sourced from PubChem (CID 143866509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).