1-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-4,4-dimethylpiperidine

C14H22FN — CID 142044686

IUPAC1-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-4,4-dimethylpiperidine
SMILESCC1(C)CCN(CC2=CC=C(F)CC2)CC1
InChIInChI=1S/C14H22FN/c1-14(2)7-9-16(10-8-14)11-12-3-5-13(15)6-4-12/h3,5H,4,6-11H2,1-2H3
InChIKeyVEUWRUAJYABGBL-UHFFFAOYSA-N
MW223.33 g/mol
LogP3.68
Rot. Bonds2

About 1-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-4,4-dimethylpiperidine

1-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-4,4-dimethylpiperidine (PubChem CID 142044686) has the molecular formula C14H22FN and a molecular weight of 223.33 g/mol. Its IUPAC name is 1-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-4,4-dimethylpiperidine.

Molecular Properties

Compound Name1-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-4,4-dimethylpiperidine
PubChem CID142044686
Molecular FormulaC14H22FN
Molecular Weight223.33 g/mol
Exact Mass223.17
IUPAC Name1-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-4,4-dimethylpiperidine
SMILESCC1(C)CCN(CC2=CC=C(F)CC2)CC1
InChIInChI=1S/C14H22FN/c1-14(2)7-9-16(10-8-14)11-12-3-5-13(15)6-4-12/h3,5H,4,6-11H2,1-2H3
InChIKeyVEUWRUAJYABGBL-UHFFFAOYSA-N
XLogP3.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.33
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Ethyltetrahydroisoquinoline
CID 129739616
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
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
1-[(4-Fluorocyclohexa-1,3-dien-1-yl)methyl]-4-methylpiperazine
CID 123342972
1-(8-Fluoro-4,5-dimethylnona-5,7-dienyl)piperidine
CID 123361404
1-(3-Fluoro-2-propan-2-ylidenehex-3-enyl)piperidine
CID 123561041
1-[(2,6-Difluoro-4-methylcyclohexa-1,5-dien-1-yl)methyl]piperidine
CID 123953860
1-ethyl-4-[(3E,5Z)-7-fluorohepta-1,3,5-trien-4-yl]piperidine-4-carbonitrile
CID 124143144

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-4,4-dimethylpiperidine?
The IUPAC name of 1-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-4,4-dimethylpiperidine (CID 142044686) is 1-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-4,4-dimethylpiperidine.
What is the SMILES notation for 1-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-4,4-dimethylpiperidine?
The canonical SMILES for 1-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-4,4-dimethylpiperidine is CC1(C)CCN(CC2=CC=C(F)CC2)CC1.
What is the InChIKey of 1-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-4,4-dimethylpiperidine?
The InChIKey is VEUWRUAJYABGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN/c1-14(2)7-9-16(10-8-14)11-12-3-5-13(15)6-4-12/h3,5H,4,6-11H2,1-2H3.
What are the key properties of 1-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-4,4-dimethylpiperidine?
1-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-4,4-dimethylpiperidine has a molecular weight of 223.33 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-4,4-dimethylpiperidine is sourced from PubChem (CID 142044686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).