1-(2-fluoroethyl)-4-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)piperidine

C16H26FN — CID 155197950

IUPAC1-(2-fluoroethyl)-4-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)piperidine
SMILESCC(C)C1=CCC(C2CCN(CCF)CC2)C=C1
InChIInChI=1S/C16H26FN/c1-13(2)14-3-5-15(6-4-14)16-7-10-18(11-8-16)12-9-17/h3-5,13,15-16H,6-12H2,1-2H3
InChIKeySHXNSFUTPRRVIW-UHFFFAOYSA-N
MW251.39 g/mol
LogP3.83
Rot. Bonds4

About 1-(2-fluoroethyl)-4-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)piperidine

1-(2-fluoroethyl)-4-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)piperidine (PubChem CID 155197950) has the molecular formula C16H26FN and a molecular weight of 251.39 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)piperidine.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)piperidine
PubChem CID155197950
Molecular FormulaC16H26FN
Molecular Weight251.39 g/mol
Exact Mass251.20
IUPAC Name1-(2-fluoroethyl)-4-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)piperidine
SMILESCC(C)C1=CCC(C2CCN(CCF)CC2)C=C1
InChIInChI=1S/C16H26FN/c1-13(2)14-3-5-15(6-4-14)16-7-10-18(11-8-16)12-9-17/h3-5,13,15-16H,6-12H2,1-2H3
InChIKeySHXNSFUTPRRVIW-UHFFFAOYSA-N
XLogP3.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Methyl-1-((2,4,6-trimethylcyclohex-3-en-1-yl)methyl)piperidin-1-ium iodide
CID 16189254
1-Methyl-1-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]piperidinium
CID 3122280
4-Cyclopenta-1,3-dien-1-yl-1-methylpiperidine
CID 12982244
2-Ethyltetrahydroisoquinoline
CID 129739616
N-(3-ethylheptyl)-1-fluoro-N-methylcyclohexa-2,4-dien-1-amine
CID 23123206
3-(4-fluorocyclohexa-2,4-dien-1-yl)-N,N-dimethylpropan-1-amine
CID 53831859
1-[(2,6-Difluorocyclohexa-2,4-dien-1-yl)methyl]piperidine
CID 66807098
1-[2-(1-Fluorocyclohexa-2,4-dien-1-yl)ethyl]-4-methylidenepiperidine
CID 69593663
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

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-4-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)piperidine?
The IUPAC name of 1-(2-fluoroethyl)-4-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)piperidine (CID 155197950) is 1-(2-fluoroethyl)-4-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)piperidine.
What is the SMILES notation for 1-(2-fluoroethyl)-4-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)piperidine?
The canonical SMILES for 1-(2-fluoroethyl)-4-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)piperidine is CC(C)C1=CCC(C2CCN(CCF)CC2)C=C1.
What is the InChIKey of 1-(2-fluoroethyl)-4-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)piperidine?
The InChIKey is SHXNSFUTPRRVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN/c1-13(2)14-3-5-15(6-4-14)16-7-10-18(11-8-16)12-9-17/h3-5,13,15-16H,6-12H2,1-2H3.
What are the key properties of 1-(2-fluoroethyl)-4-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)piperidine?
1-(2-fluoroethyl)-4-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)piperidine has a molecular weight of 251.39 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-4-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)piperidine is sourced from PubChem (CID 155197950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).