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

C18H32N2O — CID 142256401

IUPACbut-1-ene;1-(3-methoxycyclohexa-2,4-dien-1-yl)-4-propylpiperazine
SMILESC=CCC.CCCN1CCN(C2C=C(OC)C=CC2)CC1
InChIInChI=1S/C14H24N2O.C4H8/c1-3-7-15-8-10-16(11-9-15)13-5-4-6-14(12-13)17-2;1-3-4-2/h4,6,12-13H,3,5,7-11H2,1-2H3;3H,1,4H2,2H3
InChIKeyRYNWGERJUHLQGS-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.46
Rot. Bonds5

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

but-1-ene;1-(3-methoxycyclohexa-2,4-dien-1-yl)-4-propylpiperazine (PubChem CID 142256401) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is but-1-ene;1-(3-methoxycyclohexa-2,4-dien-1-yl)-4-propylpiperazine.

Molecular Properties

Compound Namebut-1-ene;1-(3-methoxycyclohexa-2,4-dien-1-yl)-4-propylpiperazine
PubChem CID142256401
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Namebut-1-ene;1-(3-methoxycyclohexa-2,4-dien-1-yl)-4-propylpiperazine
SMILESC=CCC.CCCN1CCN(C2C=C(OC)C=CC2)CC1
InChIInChI=1S/C14H24N2O.C4H8/c1-3-7-15-8-10-16(11-9-15)13-5-4-6-14(12-13)17-2;1-3-4-2/h4,6,12-13H,3,5,7-11H2,1-2H3;3H,1,4H2,2H3
InChIKeyRYNWGERJUHLQGS-UHFFFAOYSA-N
XLogP3.46
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(3-Methoxycyclohexa-2,4-dien-1-yl)piperazine
CID 89793124
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-(2-Ethoxycyclohexa-1,3-dien-1-yl)-4-methylpiperazine
CID 142040641
1-(3-Methoxycyclohexa-2,4-dien-1-yl)-4-propylpiperazine
CID 142256402
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
1-(4-Methoxycyclohexa-2,4-dien-1-yl)piperidine
CID 145617729
1-[(2Z,4E)-4-methoxyhepta-2,4-dienyl]-4-methylpiperazine
CID 155301882
1-Butyl-4-methylpiperazine;ethane;3-methoxy-7-methylcyclohepta-1,3,5-triene
CID 156867763
Carbanide;1-[(3-methoxy-4-methylbenzene-2-id-1-yl)methyl]-4-prop-2-enylpiperazine;uranium(2+)
CID 163783016
1-(2-Methoxycyclohexa-1,3-dien-1-yl)-4-methylpiperazine
CID 173071006

Frequently Asked Questions

What is the IUPAC name of but-1-ene;1-(3-methoxycyclohexa-2,4-dien-1-yl)-4-propylpiperazine?
The IUPAC name of but-1-ene;1-(3-methoxycyclohexa-2,4-dien-1-yl)-4-propylpiperazine (CID 142256401) is but-1-ene;1-(3-methoxycyclohexa-2,4-dien-1-yl)-4-propylpiperazine.
What is the SMILES notation for but-1-ene;1-(3-methoxycyclohexa-2,4-dien-1-yl)-4-propylpiperazine?
The canonical SMILES for but-1-ene;1-(3-methoxycyclohexa-2,4-dien-1-yl)-4-propylpiperazine is C=CCC.CCCN1CCN(C2C=C(OC)C=CC2)CC1.
What is the InChIKey of but-1-ene;1-(3-methoxycyclohexa-2,4-dien-1-yl)-4-propylpiperazine?
The InChIKey is RYNWGERJUHLQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O.C4H8/c1-3-7-15-8-10-16(11-9-15)13-5-4-6-14(12-13)17-2;1-3-4-2/h4,6,12-13H,3,5,7-11H2,1-2H3;3H,1,4H2,2H3.
What are the key properties of but-1-ene;1-(3-methoxycyclohexa-2,4-dien-1-yl)-4-propylpiperazine?
but-1-ene;1-(3-methoxycyclohexa-2,4-dien-1-yl)-4-propylpiperazine has a molecular weight of 292.47 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene;1-(3-methoxycyclohexa-2,4-dien-1-yl)-4-propylpiperazine is sourced from PubChem (CID 142256401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).