1-(6-fluorocyclohexa-1,5-dien-1-yl)-4-methylpiperidine

C12H18FN — CID 173053608

IUPAC1-(6-fluorocyclohexa-1,5-dien-1-yl)-4-methylpiperidine
SMILESCC1CCN(C2=CCCC=C2F)CC1
InChIInChI=1S/C12H18FN/c1-10-6-8-14(9-7-10)12-5-3-2-4-11(12)13/h4-5,10H,2-3,6-9H2,1H3
InChIKeyCEBFEDQHLIVCDM-UHFFFAOYSA-N
MW195.28 g/mol
LogP3.25
Rot. Bonds1

About 1-(6-fluorocyclohexa-1,5-dien-1-yl)-4-methylpiperidine

1-(6-fluorocyclohexa-1,5-dien-1-yl)-4-methylpiperidine (PubChem CID 173053608) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is 1-(6-fluorocyclohexa-1,5-dien-1-yl)-4-methylpiperidine.

Molecular Properties

Compound Name1-(6-fluorocyclohexa-1,5-dien-1-yl)-4-methylpiperidine
PubChem CID173053608
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Name1-(6-fluorocyclohexa-1,5-dien-1-yl)-4-methylpiperidine
SMILESCC1CCN(C2=CCCC=C2F)CC1
InChIInChI=1S/C12H18FN/c1-10-6-8-14(9-7-10)12-5-3-2-4-11(12)13/h4-5,10H,2-3,6-9H2,1H3
InChIKeyCEBFEDQHLIVCDM-UHFFFAOYSA-N
XLogP3.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-allyltetrahydroquinoline
CID 69120580
N-butyltetrahydroquinoline
CID 70628816
1-[2-(4-Fluorocyclohexa-1,5-dien-1-yl)ethyl]-4-methylpiperidine
CID 70819928
10-Ethyl-4-fluoro-7-methyl-2,3,6,7,8,9-hexahydropyrido[1,2-a]indole
CID 90910284
1-Buta-1,3-dien-2-yl-4-(6-fluorohexa-3,5-dienyl)piperidine
CID 123697465
1-[(2,6-Difluoro-4-methylcyclohexa-1,5-dien-1-yl)methyl]piperidine
CID 123953860
6-(2,4-difluoro-6-pent-2-enylcyclohexa-1,3-dien-1-yl)-1-pent-2-enyl-2H-pyridine
CID 129156390
4-(4-Fluorocyclohexa-1,5-dien-1-yl)-1-methylpiperidine
CID 134365678
4-Fluoro-1-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)piperidine
CID 134376304
(3S)-1-[(2E,4E)-4-fluoro-6-methylhepta-2,4,6-trien-3-yl]-3-methylpiperidine
CID 142294943
1-[1-(6-Fluoro-2-methylcyclohexa-1,3-dien-1-yl)propa-1,2-dienyl]piperidine
CID 142581038
4-[(E)-but-2-en-2-yl]-1-(3-fluoro-3-methylbut-1-en-2-yl)piperidine
CID 144859662

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluorocyclohexa-1,5-dien-1-yl)-4-methylpiperidine?
The IUPAC name of 1-(6-fluorocyclohexa-1,5-dien-1-yl)-4-methylpiperidine (CID 173053608) is 1-(6-fluorocyclohexa-1,5-dien-1-yl)-4-methylpiperidine.
What is the SMILES notation for 1-(6-fluorocyclohexa-1,5-dien-1-yl)-4-methylpiperidine?
The canonical SMILES for 1-(6-fluorocyclohexa-1,5-dien-1-yl)-4-methylpiperidine is CC1CCN(C2=CCCC=C2F)CC1.
What is the InChIKey of 1-(6-fluorocyclohexa-1,5-dien-1-yl)-4-methylpiperidine?
The InChIKey is CEBFEDQHLIVCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN/c1-10-6-8-14(9-7-10)12-5-3-2-4-11(12)13/h4-5,10H,2-3,6-9H2,1H3.
What are the key properties of 1-(6-fluorocyclohexa-1,5-dien-1-yl)-4-methylpiperidine?
1-(6-fluorocyclohexa-1,5-dien-1-yl)-4-methylpiperidine has a molecular weight of 195.28 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluorocyclohexa-1,5-dien-1-yl)-4-methylpiperidine is sourced from PubChem (CID 173053608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).