5-(4-methylpiperazin-1-yl)-5-[(E)-prop-1-enyl]cyclohexa-1,3-dien-1-amine

C14H23N3 — CID 23071599

IUPAC5-(4-methylpiperazin-1-yl)-5-[(E)-prop-1-enyl]cyclohexa-1,3-dien-1-amine
SMILESC/C=C/C1(N2CCN(C)CC2)C=CC=C(N)C1
InChIInChI=1S/C14H23N3/c1-3-6-14(7-4-5-13(15)12-14)17-10-8-16(2)9-11-17/h3-7H,8-12,15H2,1-2H3/b6-3+
InChIKeyMWEPBSKDHLVGCO-ZZXKWVIFSA-N
MW233.36 g/mol
LogP1.35
Rot. Bonds2

About 5-(4-methylpiperazin-1-yl)-5-[(E)-prop-1-enyl]cyclohexa-1,3-dien-1-amine

5-(4-methylpiperazin-1-yl)-5-[(E)-prop-1-enyl]cyclohexa-1,3-dien-1-amine (PubChem CID 23071599) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 5-(4-methylpiperazin-1-yl)-5-[(E)-prop-1-enyl]cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name5-(4-methylpiperazin-1-yl)-5-[(E)-prop-1-enyl]cyclohexa-1,3-dien-1-amine
PubChem CID23071599
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name5-(4-methylpiperazin-1-yl)-5-[(E)-prop-1-enyl]cyclohexa-1,3-dien-1-amine
SMILESC/C=C/C1(N2CCN(C)CC2)C=CC=C(N)C1
InChIInChI=1S/C14H23N3/c1-3-6-14(7-4-5-13(15)12-14)17-10-8-16(2)9-11-17/h3-7H,8-12,15H2,1-2H3/b6-3+
InChIKeyMWEPBSKDHLVGCO-ZZXKWVIFSA-N
XLogP1.35
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,4-Bis(2,2,6,6-tetramethyl-1,2,3,6-tetrahydro-4-pyridinyl)piperazine
CID 365211
3-Fluoro-4-[3-(4-methylpiperazin-1-yl)propyl]cyclohexa-1,5-diene-1,4-diamine
CID 68644223
1-(3-Fluoro-6-methylcyclohexa-1,3-dien-1-yl)piperazine
CID 123598247
4-(4-Ethylpiperazin-1-yl)-4-fluorocyclohexa-1,5-dien-1-amine
CID 140764211
1-[4-(4,4-Difluorocyclohexa-1,5-dien-1-yl)-1-methylpiperazin-2-yl]ethanamine
CID 141052870
1-(5-Fluoro-6-methylcyclohexa-1,3-dien-1-yl)piperazine
CID 146265962
1-(Cyclohexa-1,3-dien-1-yl)-4-methylpiperazine
CID 15665733
5-Fluoro-4-methyl-4-piperidin-1-ylcyclohexa-1,5-dien-1-amine
CID 177223294
2,2,6,6-Tetramethyl-4-(piperidin-1-yl)-1,2,3,6-tetrahydropyridine
CID 12592666
4-(4-Methylpiperazin-1-yl)cyclohexa-2,4-dien-1-amine
CID 17920165
1-Cyclohexa-1,3-dien-1-ylpiperazine
CID 21620788
4-[(4-Ethylpiperazin-1-yl)methyl]cyclopenta-1,3-dien-1-amine
CID 58111088

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperazin-1-yl)-5-[(E)-prop-1-enyl]cyclohexa-1,3-dien-1-amine?
The IUPAC name of 5-(4-methylpiperazin-1-yl)-5-[(E)-prop-1-enyl]cyclohexa-1,3-dien-1-amine (CID 23071599) is 5-(4-methylpiperazin-1-yl)-5-[(E)-prop-1-enyl]cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 5-(4-methylpiperazin-1-yl)-5-[(E)-prop-1-enyl]cyclohexa-1,3-dien-1-amine?
The canonical SMILES for 5-(4-methylpiperazin-1-yl)-5-[(E)-prop-1-enyl]cyclohexa-1,3-dien-1-amine is C/C=C/C1(N2CCN(C)CC2)C=CC=C(N)C1.
What is the InChIKey of 5-(4-methylpiperazin-1-yl)-5-[(E)-prop-1-enyl]cyclohexa-1,3-dien-1-amine?
The InChIKey is MWEPBSKDHLVGCO-ZZXKWVIFSA-N. The full InChI is InChI=1S/C14H23N3/c1-3-6-14(7-4-5-13(15)12-14)17-10-8-16(2)9-11-17/h3-7H,8-12,15H2,1-2H3/b6-3+.
What are the key properties of 5-(4-methylpiperazin-1-yl)-5-[(E)-prop-1-enyl]cyclohexa-1,3-dien-1-amine?
5-(4-methylpiperazin-1-yl)-5-[(E)-prop-1-enyl]cyclohexa-1,3-dien-1-amine has a molecular weight of 233.36 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperazin-1-yl)-5-[(E)-prop-1-enyl]cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 23071599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).