1-[2-(4-fluorocyclohexa-1,5-dien-1-yl)ethyl]-4-methylpiperidine

C14H22FN — CID 70819928

IUPAC1-[2-(4-fluorocyclohexa-1,5-dien-1-yl)ethyl]-4-methylpiperidine
SMILESCC1CCN(CCC2=CCC(F)C=C2)CC1
InChIInChI=1S/C14H22FN/c1-12-6-9-16(10-7-12)11-8-13-2-4-14(15)5-3-13/h2-4,12,14H,5-11H2,1H3
InChIKeyCWCZWOVARYBYAM-UHFFFAOYSA-N
MW223.34 g/mol
LogP3.33
Rot. Bonds3

About 1-[2-(4-fluorocyclohexa-1,5-dien-1-yl)ethyl]-4-methylpiperidine

1-[2-(4-fluorocyclohexa-1,5-dien-1-yl)ethyl]-4-methylpiperidine (PubChem CID 70819928) has the molecular formula C14H22FN and a molecular weight of 223.34 g/mol. Its IUPAC name is 1-[2-(4-fluorocyclohexa-1,5-dien-1-yl)ethyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[2-(4-fluorocyclohexa-1,5-dien-1-yl)ethyl]-4-methylpiperidine
PubChem CID70819928
Molecular FormulaC14H22FN
Molecular Weight223.34 g/mol
Exact Mass223.17
IUPAC Name1-[2-(4-fluorocyclohexa-1,5-dien-1-yl)ethyl]-4-methylpiperidine
SMILESCC1CCN(CCC2=CCC(F)C=C2)CC1
InChIInChI=1S/C14H22FN/c1-12-6-9-16(10-7-12)11-8-13-2-4-14(15)5-3-13/h2-4,12,14H,5-11H2,1H3
InChIKeyCWCZWOVARYBYAM-UHFFFAOYSA-N
XLogP3.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorocyclohexa-1,5-dien-1-yl)ethyl]-4-methylpiperidine?
The IUPAC name of 1-[2-(4-fluorocyclohexa-1,5-dien-1-yl)ethyl]-4-methylpiperidine (CID 70819928) is 1-[2-(4-fluorocyclohexa-1,5-dien-1-yl)ethyl]-4-methylpiperidine.
What is the SMILES notation for 1-[2-(4-fluorocyclohexa-1,5-dien-1-yl)ethyl]-4-methylpiperidine?
The canonical SMILES for 1-[2-(4-fluorocyclohexa-1,5-dien-1-yl)ethyl]-4-methylpiperidine is CC1CCN(CCC2=CCC(F)C=C2)CC1.
What is the InChIKey of 1-[2-(4-fluorocyclohexa-1,5-dien-1-yl)ethyl]-4-methylpiperidine?
The InChIKey is CWCZWOVARYBYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN/c1-12-6-9-16(10-7-12)11-8-13-2-4-14(15)5-3-13/h2-4,12,14H,5-11H2,1H3.
What are the key properties of 1-[2-(4-fluorocyclohexa-1,5-dien-1-yl)ethyl]-4-methylpiperidine?
1-[2-(4-fluorocyclohexa-1,5-dien-1-yl)ethyl]-4-methylpiperidine has a molecular weight of 223.34 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorocyclohexa-1,5-dien-1-yl)ethyl]-4-methylpiperidine is sourced from PubChem (CID 70819928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).