1-(3-methoxycyclohexa-2,4-dien-1-yl)-4-propylpiperazine

C14H24N2O — CID 142256402

IUPAC1-(3-methoxycyclohexa-2,4-dien-1-yl)-4-propylpiperazine
SMILESCCCN1CCN(C2C=C(OC)C=CC2)CC1
InChIInChI=1S/C14H24N2O/c1-3-7-15-8-10-16(11-9-15)13-5-4-6-14(12-13)17-2/h4,6,12-13H,3,5,7-11H2,1-2H3
InChIKeyUEYOPXPYVXBSJU-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.87
Rot. Bonds4

About 1-(3-methoxycyclohexa-2,4-dien-1-yl)-4-propylpiperazine

1-(3-methoxycyclohexa-2,4-dien-1-yl)-4-propylpiperazine (PubChem CID 142256402) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(3-methoxycyclohexa-2,4-dien-1-yl)-4-propylpiperazine.

Molecular Properties

Compound Name1-(3-methoxycyclohexa-2,4-dien-1-yl)-4-propylpiperazine
PubChem CID142256402
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-(3-methoxycyclohexa-2,4-dien-1-yl)-4-propylpiperazine
SMILESCCCN1CCN(C2C=C(OC)C=CC2)CC1
InChIInChI=1S/C14H24N2O/c1-3-7-15-8-10-16(11-9-15)13-5-4-6-14(12-13)17-2/h4,6,12-13H,3,5,7-11H2,1-2H3
InChIKeyUEYOPXPYVXBSJU-UHFFFAOYSA-N
XLogP1.87
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-Methoxycyclohexa-2,4-dien-1-yl)piperazine
CID 69797584
6-Methoxy-4-(4-methylpiperazin-1-yl)cyclohexa-1,5-dien-1-amine
CID 70886851
4-(4-Methylpiperazin-1-yl)cyclohexa-1,5-dien-1-ol
CID 89053941
1-(3-Methoxycyclohexa-2,4-dien-1-yl)piperazine
CID 89793124
6-(4-Ethylpiperazin-1-yl)-6-methoxycyclohexa-2,4-dien-1-amine
CID 118296266
4-methoxy-N-methyl-N-propan-2-ylcyclohexa-2,4-dien-1-amine
CID 123784215
(5Z,6E)-3-cyclohexa-2,4-dien-1-yl-5-ethylidene-6-prop-2-enylidene-1,3-oxazinane
CID 139311618
1-(5-Methoxycyclohepta-1,4,6-trien-1-yl)-4-methylpiperazine
CID 141952227
1-(2-Ethoxycyclohexa-1,3-dien-1-yl)-4-methylpiperazine
CID 142040641
But-1-ene;1-(3-methoxycyclohexa-2,4-dien-1-yl)-4-propylpiperazine
CID 142256401
Ethane;1-(3-methoxycyclohexa-2,4-dien-1-yl)piperazine
CID 142256489
ethane;1-[(2E,3Z)-2-ethylidene-5-methoxyhexa-3,5-dienyl]-4-methylpiperazine
CID 143999016

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxycyclohexa-2,4-dien-1-yl)-4-propylpiperazine?
The IUPAC name of 1-(3-methoxycyclohexa-2,4-dien-1-yl)-4-propylpiperazine (CID 142256402) is 1-(3-methoxycyclohexa-2,4-dien-1-yl)-4-propylpiperazine.
What is the SMILES notation for 1-(3-methoxycyclohexa-2,4-dien-1-yl)-4-propylpiperazine?
The canonical SMILES for 1-(3-methoxycyclohexa-2,4-dien-1-yl)-4-propylpiperazine is CCCN1CCN(C2C=C(OC)C=CC2)CC1.
What is the InChIKey of 1-(3-methoxycyclohexa-2,4-dien-1-yl)-4-propylpiperazine?
The InChIKey is UEYOPXPYVXBSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-3-7-15-8-10-16(11-9-15)13-5-4-6-14(12-13)17-2/h4,6,12-13H,3,5,7-11H2,1-2H3.
What are the key properties of 1-(3-methoxycyclohexa-2,4-dien-1-yl)-4-propylpiperazine?
1-(3-methoxycyclohexa-2,4-dien-1-yl)-4-propylpiperazine has a molecular weight of 236.36 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxycyclohexa-2,4-dien-1-yl)-4-propylpiperazine is sourced from PubChem (CID 142256402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).