1-(2-fluoroethyl)-4-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)piperidine

C16H26FN — CID 155197640

IUPAC1-(2-fluoroethyl)-4-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)piperidine
SMILESCC(C)C1=CC=C(C2CCN(CCF)CC2)CC1
InChIInChI=1S/C16H26FN/c1-13(2)14-3-5-15(6-4-14)16-7-10-18(11-8-16)12-9-17/h3,5,13,16H,4,6-12H2,1-2H3
InChIKeyQKGYTFUZBFURBP-UHFFFAOYSA-N
MW251.39 g/mol
LogP3.97
Rot. Bonds4

About 1-(2-fluoroethyl)-4-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)piperidine

1-(2-fluoroethyl)-4-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)piperidine (PubChem CID 155197640) 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-1,3-dien-1-yl)piperidine.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)piperidine
PubChem CID155197640
Molecular FormulaC16H26FN
Molecular Weight251.39 g/mol
Exact Mass251.20
IUPAC Name1-(2-fluoroethyl)-4-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)piperidine
SMILESCC(C)C1=CC=C(C2CCN(CCF)CC2)CC1
InChIInChI=1S/C16H26FN/c1-13(2)14-3-5-15(6-4-14)16-7-10-18(11-8-16)12-9-17/h3,5,13,16H,4,6-12H2,1-2H3
InChIKeyQKGYTFUZBFURBP-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Halicyclamine A
CID 10479489
1-Methyl-1-((2,4,6-trimethylcyclohex-3-en-1-yl)methyl)piperidin-1-ium iodide
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1-Methyl-1-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]piperidinium
CID 3122280
(4Z,6Z,14S,19Z,21Z,29S,30S)-1,16-diazatetracyclo[27.3.1.112,16.014,30]tetratriaconta-4,6,12,19,21-pentaene
CID 162908492
1-[2-(4-Fluorocyclohexa-1,5-dien-1-yl)ethyl]-4-methylpiperidine
CID 70819928
1-Ethyl-4-[4-fluoro-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperidine
CID 70954594
4-[3,5-bis(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-1-[2-(4-ethylcyclohexyl)ethyl]-3,6-dihydro-2H-pyridine
CID 88306210
3-[(1E,3Z,5Z)-3-(1-fluoroethyl)hepta-1,3,5-trienyl]-8-methyl-8-azabicyclo[3.2.1]octane
CID 89022338
(2R)-1-[(1R)-1-cyclohex-3-en-1-yl-4-methylpent-4-en-2-ynyl]-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine
CID 89128670
2-ethyl-6-fluoro-3,4,8,8a-tetrahydro-1H-isoquinoline
CID 89514110
N-[[(1R)-2-fluorocyclohex-3-en-1-yl]methyl]-N-methyl-2-[(4S)-4-methylcyclohex-2-en-1-yl]ethanamine
CID 118312653
4-(4-Fluorocyclohexa-1,3-dien-1-yl)-1-methylpiperidine
CID 118422995

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-4-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)piperidine?
The IUPAC name of 1-(2-fluoroethyl)-4-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)piperidine (CID 155197640) is 1-(2-fluoroethyl)-4-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)piperidine.
What is the SMILES notation for 1-(2-fluoroethyl)-4-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)piperidine?
The canonical SMILES for 1-(2-fluoroethyl)-4-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)piperidine is CC(C)C1=CC=C(C2CCN(CCF)CC2)CC1.
What is the InChIKey of 1-(2-fluoroethyl)-4-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)piperidine?
The InChIKey is QKGYTFUZBFURBP-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/h3,5,13,16H,4,6-12H2,1-2H3.
What are the key properties of 1-(2-fluoroethyl)-4-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)piperidine?
1-(2-fluoroethyl)-4-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)piperidine has a molecular weight of 251.39 g/mol, XLogP of 3.97, 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-1,3-dien-1-yl)piperidine is sourced from PubChem (CID 155197640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).