1-(8-fluoro-4,5-dimethylnona-5,7-dienyl)piperidine

C16H28FN — CID 123361404

IUPAC1-(8-fluoro-4,5-dimethylnona-5,7-dienyl)piperidine
SMILESCC(F)=CC=C(C)C(C)CCCN1CCCCC1
InChIInChI=1S/C16H28FN/c1-14(15(2)9-10-16(3)17)8-7-13-18-11-5-4-6-12-18/h9-10,14H,4-8,11-13H2,1-3H3
InChIKeySGIXCLVETWXQHK-UHFFFAOYSA-N
MW253.41 g/mol
LogP4.71
Rot. Bonds6

About 1-(8-fluoro-4,5-dimethylnona-5,7-dienyl)piperidine

1-(8-fluoro-4,5-dimethylnona-5,7-dienyl)piperidine (PubChem CID 123361404) has the molecular formula C16H28FN and a molecular weight of 253.41 g/mol. Its IUPAC name is 1-(8-fluoro-4,5-dimethylnona-5,7-dienyl)piperidine.

Molecular Properties

Compound Name1-(8-fluoro-4,5-dimethylnona-5,7-dienyl)piperidine
PubChem CID123361404
Molecular FormulaC16H28FN
Molecular Weight253.41 g/mol
Exact Mass253.22
IUPAC Name1-(8-fluoro-4,5-dimethylnona-5,7-dienyl)piperidine
SMILESCC(F)=CC=C(C)C(C)CCCN1CCCCC1
InChIInChI=1S/C16H28FN/c1-14(15(2)9-10-16(3)17)8-7-13-18-11-5-4-6-12-18/h9-10,14H,4-8,11-13H2,1-3H3
InChIKeySGIXCLVETWXQHK-UHFFFAOYSA-N
XLogP4.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-1-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]piperidinium
CID 3122280
1-(3,7-Dimethyloct-6-en-1-yl)piperidine
CID 3592771
4-Cyclopenta-1,3-dien-1-yl-1-methylpiperidine
CID 12982244
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-(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-Ethyl-4-[4-fluoro-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperidine
CID 70954594
1-[(2E,3Z)-2-(2-fluoroethylidene)hexa-3,5-dienyl]-4-methylpiperidine
CID 89297752
2-ethyl-8-(trifluoromethyl)-3,4,8,8a-tetrahydro-1H-isoquinoline
CID 89514082
2-ethyl-6-fluoro-3,4,8,8a-tetrahydro-1H-isoquinoline
CID 89514110
1-Methyl-4-[2-(trifluoromethyl)cyclohexa-2,5-dien-1-yl]piperidine
CID 91802982

Frequently Asked Questions

What is the IUPAC name of 1-(8-fluoro-4,5-dimethylnona-5,7-dienyl)piperidine?
The IUPAC name of 1-(8-fluoro-4,5-dimethylnona-5,7-dienyl)piperidine (CID 123361404) is 1-(8-fluoro-4,5-dimethylnona-5,7-dienyl)piperidine.
What is the SMILES notation for 1-(8-fluoro-4,5-dimethylnona-5,7-dienyl)piperidine?
The canonical SMILES for 1-(8-fluoro-4,5-dimethylnona-5,7-dienyl)piperidine is CC(F)=CC=C(C)C(C)CCCN1CCCCC1.
What is the InChIKey of 1-(8-fluoro-4,5-dimethylnona-5,7-dienyl)piperidine?
The InChIKey is SGIXCLVETWXQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28FN/c1-14(15(2)9-10-16(3)17)8-7-13-18-11-5-4-6-12-18/h9-10,14H,4-8,11-13H2,1-3H3.
What are the key properties of 1-(8-fluoro-4,5-dimethylnona-5,7-dienyl)piperidine?
1-(8-fluoro-4,5-dimethylnona-5,7-dienyl)piperidine has a molecular weight of 253.41 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-fluoro-4,5-dimethylnona-5,7-dienyl)piperidine is sourced from PubChem (CID 123361404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).