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

C14H22FN — CID 134376304

IUPAC4-fluoro-1-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)piperidine
SMILESCC(C)C1=CCC(N2CCC(F)CC2)C=C1
InChIInChI=1S/C14H22FN/c1-11(2)12-3-5-14(6-4-12)16-9-7-13(15)8-10-16/h3-5,11,13-14H,6-10H2,1-2H3
InChIKeyUXVPIFDJUMLJKH-UHFFFAOYSA-N
MW223.34 g/mol
LogP3.33
Rot. Bonds2

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

4-fluoro-1-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)piperidine (PubChem CID 134376304) has the molecular formula C14H22FN and a molecular weight of 223.34 g/mol. Its IUPAC name is 4-fluoro-1-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)piperidine.

Molecular Properties

Compound Name4-fluoro-1-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)piperidine
PubChem CID134376304
Molecular FormulaC14H22FN
Molecular Weight223.34 g/mol
Exact Mass223.17
IUPAC Name4-fluoro-1-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)piperidine
SMILESCC(C)C1=CCC(N2CCC(F)CC2)C=C1
InChIInChI=1S/C14H22FN/c1-11(2)12-3-5-14(6-4-12)16-9-7-13(15)8-10-16/h3-5,11,13-14H,6-10H2,1-2H3
InChIKeyUXVPIFDJUMLJKH-UHFFFAOYSA-N
XLogP3.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-Prop-1-en-2-ylcyclohex-2-en-1-yl)piperidine
CID 12485228
1-(6-Prop-1-en-2-ylcyclohex-2-en-1-yl)piperidine
CID 12485229
2-methyl-3,4,4a,5-tetrahydro-1H-isoquinoline
CID 68536267
n-Allyltetrahydroisoquinoline
CID 69120546
2-Ethyltetrahydroisoquinoline
CID 129739616
1-(1-Fluorocyclohexa-2,4-dien-1-yl)piperidine
CID 22637767
N-ethyl-1-fluoro-N-(2-methylpentyl)cyclohexa-2,4-dien-1-amine
CID 23123337
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
1-[(2E,3Z)-2-(2-fluoroethylidene)hexa-3,5-dienyl]-4-methylpiperidine
CID 89297752
2-ethyl-6-fluoro-3,4,8,8a-tetrahydro-1H-isoquinoline
CID 89514110

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)piperidine?
The IUPAC name of 4-fluoro-1-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)piperidine (CID 134376304) is 4-fluoro-1-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)piperidine.
What is the SMILES notation for 4-fluoro-1-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)piperidine?
The canonical SMILES for 4-fluoro-1-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)piperidine is CC(C)C1=CCC(N2CCC(F)CC2)C=C1.
What is the InChIKey of 4-fluoro-1-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)piperidine?
The InChIKey is UXVPIFDJUMLJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN/c1-11(2)12-3-5-14(6-4-12)16-9-7-13(15)8-10-16/h3-5,11,13-14H,6-10H2,1-2H3.
What are the key properties of 4-fluoro-1-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)piperidine?
4-fluoro-1-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)piperidine has a molecular weight of 223.34 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)piperidine is sourced from PubChem (CID 134376304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).