1-ethyl-4-[(5-methylcyclohexa-2,4-dien-1-yl)methyl]piperazine

C14H24N2 — CID 139297259

IUPAC1-ethyl-4-[(5-methylcyclohexa-2,4-dien-1-yl)methyl]piperazine
SMILESCCN1CCN(CC2C=CC=C(C)C2)CC1
InChIInChI=1S/C14H24N2/c1-3-15-7-9-16(10-8-15)12-14-6-4-5-13(2)11-14/h4-6,14H,3,7-12H2,1-2H3
InChIKeyUPPOZIVVIDWYJH-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.15
Rot. Bonds3

About 1-ethyl-4-[(5-methylcyclohexa-2,4-dien-1-yl)methyl]piperazine

1-ethyl-4-[(5-methylcyclohexa-2,4-dien-1-yl)methyl]piperazine (PubChem CID 139297259) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-ethyl-4-[(5-methylcyclohexa-2,4-dien-1-yl)methyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[(5-methylcyclohexa-2,4-dien-1-yl)methyl]piperazine
PubChem CID139297259
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name1-ethyl-4-[(5-methylcyclohexa-2,4-dien-1-yl)methyl]piperazine
SMILESCCN1CCN(CC2C=CC=C(C)C2)CC1
InChIInChI=1S/C14H24N2/c1-3-15-7-9-16(10-8-15)12-14-6-4-5-13(2)11-14/h4-6,14H,3,7-12H2,1-2H3
InChIKeyUPPOZIVVIDWYJH-UHFFFAOYSA-N
XLogP2.15
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(5-methylcyclohexa-2,4-dien-1-yl)methyl]piperazine?
The IUPAC name of 1-ethyl-4-[(5-methylcyclohexa-2,4-dien-1-yl)methyl]piperazine (CID 139297259) is 1-ethyl-4-[(5-methylcyclohexa-2,4-dien-1-yl)methyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[(5-methylcyclohexa-2,4-dien-1-yl)methyl]piperazine?
The canonical SMILES for 1-ethyl-4-[(5-methylcyclohexa-2,4-dien-1-yl)methyl]piperazine is CCN1CCN(CC2C=CC=C(C)C2)CC1.
What is the InChIKey of 1-ethyl-4-[(5-methylcyclohexa-2,4-dien-1-yl)methyl]piperazine?
The InChIKey is UPPOZIVVIDWYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-3-15-7-9-16(10-8-15)12-14-6-4-5-13(2)11-14/h4-6,14H,3,7-12H2,1-2H3.
What are the key properties of 1-ethyl-4-[(5-methylcyclohexa-2,4-dien-1-yl)methyl]piperazine?
1-ethyl-4-[(5-methylcyclohexa-2,4-dien-1-yl)methyl]piperazine has a molecular weight of 220.36 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(5-methylcyclohexa-2,4-dien-1-yl)methyl]piperazine is sourced from PubChem (CID 139297259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).