1-(1-cyclopropylethenyl)-4-(2-ethylcyclohexa-1,5-dien-1-yl)piperidine

C18H27N — CID 138498151

IUPAC1-(1-cyclopropylethenyl)-4-(2-ethylcyclohexa-1,5-dien-1-yl)piperidine
SMILESC=C(C1CC1)N1CCC(C2=C(CC)CCC=C2)CC1
InChIInChI=1S/C18H27N/c1-3-15-6-4-5-7-18(15)17-10-12-19(13-11-17)14(2)16-8-9-16/h5,7,16-17H,2-4,6,8-13H2,1H3
InChIKeyNNERVSXAWAJLSK-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.68
Rot. Bonds4

About 1-(1-cyclopropylethenyl)-4-(2-ethylcyclohexa-1,5-dien-1-yl)piperidine

1-(1-cyclopropylethenyl)-4-(2-ethylcyclohexa-1,5-dien-1-yl)piperidine (PubChem CID 138498151) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is 1-(1-cyclopropylethenyl)-4-(2-ethylcyclohexa-1,5-dien-1-yl)piperidine.

Molecular Properties

Compound Name1-(1-cyclopropylethenyl)-4-(2-ethylcyclohexa-1,5-dien-1-yl)piperidine
PubChem CID138498151
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name1-(1-cyclopropylethenyl)-4-(2-ethylcyclohexa-1,5-dien-1-yl)piperidine
SMILESC=C(C1CC1)N1CCC(C2=C(CC)CCC=C2)CC1
InChIInChI=1S/C18H27N/c1-3-15-6-4-5-7-18(15)17-10-12-19(13-11-17)14(2)16-8-9-16/h5,7,16-17H,2-4,6,8-13H2,1H3
InChIKeyNNERVSXAWAJLSK-UHFFFAOYSA-N
XLogP4.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylethenyl)-4-(2-ethylcyclohexa-1,5-dien-1-yl)piperidine?
The IUPAC name of 1-(1-cyclopropylethenyl)-4-(2-ethylcyclohexa-1,5-dien-1-yl)piperidine (CID 138498151) is 1-(1-cyclopropylethenyl)-4-(2-ethylcyclohexa-1,5-dien-1-yl)piperidine.
What is the SMILES notation for 1-(1-cyclopropylethenyl)-4-(2-ethylcyclohexa-1,5-dien-1-yl)piperidine?
The canonical SMILES for 1-(1-cyclopropylethenyl)-4-(2-ethylcyclohexa-1,5-dien-1-yl)piperidine is C=C(C1CC1)N1CCC(C2=C(CC)CCC=C2)CC1.
What is the InChIKey of 1-(1-cyclopropylethenyl)-4-(2-ethylcyclohexa-1,5-dien-1-yl)piperidine?
The InChIKey is NNERVSXAWAJLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-3-15-6-4-5-7-18(15)17-10-12-19(13-11-17)14(2)16-8-9-16/h5,7,16-17H,2-4,6,8-13H2,1H3.
What are the key properties of 1-(1-cyclopropylethenyl)-4-(2-ethylcyclohexa-1,5-dien-1-yl)piperidine?
1-(1-cyclopropylethenyl)-4-(2-ethylcyclohexa-1,5-dien-1-yl)piperidine has a molecular weight of 257.42 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylethenyl)-4-(2-ethylcyclohexa-1,5-dien-1-yl)piperidine is sourced from PubChem (CID 138498151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).