4-(4-ethylpiperazin-1-yl)-5-methoxycyclohexa-1,3-dien-1-amine

C13H23N3O — CID 142832296

IUPAC4-(4-ethylpiperazin-1-yl)-5-methoxycyclohexa-1,3-dien-1-amine
SMILESCCN1CCN(C2=CC=C(N)CC2OC)CC1
InChIInChI=1S/C13H23N3O/c1-3-15-6-8-16(9-7-15)12-5-4-11(14)10-13(12)17-2/h4-5,13H,3,6-10,14H2,1-2H3
InChIKeyRXMAINZWKIILQV-UHFFFAOYSA-N
MW237.35 g/mol
LogP0.77
Rot. Bonds3

About 4-(4-ethylpiperazin-1-yl)-5-methoxycyclohexa-1,3-dien-1-amine

4-(4-ethylpiperazin-1-yl)-5-methoxycyclohexa-1,3-dien-1-amine (PubChem CID 142832296) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-(4-ethylpiperazin-1-yl)-5-methoxycyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name4-(4-ethylpiperazin-1-yl)-5-methoxycyclohexa-1,3-dien-1-amine
PubChem CID142832296
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name4-(4-ethylpiperazin-1-yl)-5-methoxycyclohexa-1,3-dien-1-amine
SMILESCCN1CCN(C2=CC=C(N)CC2OC)CC1
InChIInChI=1S/C13H23N3O/c1-3-15-6-8-16(9-7-15)12-5-4-11(14)10-13(12)17-2/h4-5,13H,3,6-10,14H2,1-2H3
InChIKeyRXMAINZWKIILQV-UHFFFAOYSA-N
XLogP0.77
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazin-1-yl)-5-methoxycyclohexa-1,3-dien-1-amine?
The IUPAC name of 4-(4-ethylpiperazin-1-yl)-5-methoxycyclohexa-1,3-dien-1-amine (CID 142832296) is 4-(4-ethylpiperazin-1-yl)-5-methoxycyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 4-(4-ethylpiperazin-1-yl)-5-methoxycyclohexa-1,3-dien-1-amine?
The canonical SMILES for 4-(4-ethylpiperazin-1-yl)-5-methoxycyclohexa-1,3-dien-1-amine is CCN1CCN(C2=CC=C(N)CC2OC)CC1.
What is the InChIKey of 4-(4-ethylpiperazin-1-yl)-5-methoxycyclohexa-1,3-dien-1-amine?
The InChIKey is RXMAINZWKIILQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-15-6-8-16(9-7-15)12-5-4-11(14)10-13(12)17-2/h4-5,13H,3,6-10,14H2,1-2H3.
What are the key properties of 4-(4-ethylpiperazin-1-yl)-5-methoxycyclohexa-1,3-dien-1-amine?
4-(4-ethylpiperazin-1-yl)-5-methoxycyclohexa-1,3-dien-1-amine has a molecular weight of 237.35 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazin-1-yl)-5-methoxycyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 142832296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).