1-(5-ethylcyclohexa-1,5-dien-1-yl)-4-piperidin-1-ylpiperidine

C18H30N2 — CID 139400853

IUPAC1-(5-ethylcyclohexa-1,5-dien-1-yl)-4-piperidin-1-ylpiperidine
SMILESCCC1=CC(N2CCC(N3CCCCC3)CC2)=CCC1
InChIInChI=1S/C18H30N2/c1-2-16-7-6-8-18(15-16)20-13-9-17(10-14-20)19-11-4-3-5-12-19/h8,15,17H,2-7,9-14H2,1H3
InChIKeyCETWNBAABZFWBY-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.95
Rot. Bonds3

About 1-(5-ethylcyclohexa-1,5-dien-1-yl)-4-piperidin-1-ylpiperidine

1-(5-ethylcyclohexa-1,5-dien-1-yl)-4-piperidin-1-ylpiperidine (PubChem CID 139400853) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-(5-ethylcyclohexa-1,5-dien-1-yl)-4-piperidin-1-ylpiperidine.

Molecular Properties

Compound Name1-(5-ethylcyclohexa-1,5-dien-1-yl)-4-piperidin-1-ylpiperidine
PubChem CID139400853
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-(5-ethylcyclohexa-1,5-dien-1-yl)-4-piperidin-1-ylpiperidine
SMILESCCC1=CC(N2CCC(N3CCCCC3)CC2)=CCC1
InChIInChI=1S/C18H30N2/c1-2-16-7-6-8-18(15-16)20-13-9-17(10-14-20)19-11-4-3-5-12-19/h8,15,17H,2-7,9-14H2,1H3
InChIKeyCETWNBAABZFWBY-UHFFFAOYSA-N
XLogP3.95
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Piperidin-1-ylcyclohex-2-en-1-yl)piperidine
CID 14315940
1-[1-(6-Fluorocyclohexa-1,5-dien-1-yl)piperidin-4-yl]-4-methylpiperazine
CID 173009685
1-[(1S)-2-piperidin-1-ylcyclohex-2-en-1-yl]piperidine
CID 135086295
1-[2-(1-Piperidin-1-ylethyl)but-2-enyl]piperidine
CID 70027195
4-(1,2-dimethylpiperidin-4-yl)-1,6-dimethyl-2H-pyridine
CID 70559432
1-(4-Butylcyclohexa-1,3-dien-1-yl)-4-[1-(1-cyclohexa-1,5-dien-1-ylethyl)piperidin-4-yl]piperazine
CID 70875860
4-(4-Piperidin-1-ylpiperidin-1-yl)cyclohexa-1,5-dien-1-amine
CID 70994776
N-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4-methylcyclohexa-1,3-dien-1-amine
CID 71051948
1-Cyclobutyl-4-[[4-(piperidin-1-ylmethyl)cyclohexa-1,3-dien-1-yl]methylidene]piperidine
CID 71276626
1-Azatetracyclo[8.7.1.02,7.014,18]octadeca-2,7,9,11,13-pentaene
CID 88847452
N-cyclohexa-1,5-dien-1-yl-N-[4-(4-piperidin-1-ylpiperidin-1-yl)butyl]cyclohexa-1,5-dien-1-amine
CID 91298077
1-tert-butyl-N-cyclohexa-1,5-dien-1-yl-N-methylpiperidin-4-amine
CID 132011499

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylcyclohexa-1,5-dien-1-yl)-4-piperidin-1-ylpiperidine?
The IUPAC name of 1-(5-ethylcyclohexa-1,5-dien-1-yl)-4-piperidin-1-ylpiperidine (CID 139400853) is 1-(5-ethylcyclohexa-1,5-dien-1-yl)-4-piperidin-1-ylpiperidine.
What is the SMILES notation for 1-(5-ethylcyclohexa-1,5-dien-1-yl)-4-piperidin-1-ylpiperidine?
The canonical SMILES for 1-(5-ethylcyclohexa-1,5-dien-1-yl)-4-piperidin-1-ylpiperidine is CCC1=CC(N2CCC(N3CCCCC3)CC2)=CCC1.
What is the InChIKey of 1-(5-ethylcyclohexa-1,5-dien-1-yl)-4-piperidin-1-ylpiperidine?
The InChIKey is CETWNBAABZFWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-2-16-7-6-8-18(15-16)20-13-9-17(10-14-20)19-11-4-3-5-12-19/h8,15,17H,2-7,9-14H2,1H3.
What are the key properties of 1-(5-ethylcyclohexa-1,5-dien-1-yl)-4-piperidin-1-ylpiperidine?
1-(5-ethylcyclohexa-1,5-dien-1-yl)-4-piperidin-1-ylpiperidine has a molecular weight of 274.45 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylcyclohexa-1,5-dien-1-yl)-4-piperidin-1-ylpiperidine is sourced from PubChem (CID 139400853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).