4-(4-ethylpiperazin-1-yl)cyclohex-2-en-1-amine

C12H23N3 — CID 123815338

IUPAC4-(4-ethylpiperazin-1-yl)cyclohex-2-en-1-amine
SMILESCCN1CCN(C2C=CC(N)CC2)CC1
InChIInChI=1S/C12H23N3/c1-2-14-7-9-15(10-8-14)12-5-3-11(13)4-6-12/h3,5,11-12H,2,4,6-10,13H2,1H3
InChIKeyPUAWLQVFFGSBDG-UHFFFAOYSA-N
MW209.34 g/mol
LogP0.67
Rot. Bonds2

About 4-(4-ethylpiperazin-1-yl)cyclohex-2-en-1-amine

4-(4-ethylpiperazin-1-yl)cyclohex-2-en-1-amine (PubChem CID 123815338) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 4-(4-ethylpiperazin-1-yl)cyclohex-2-en-1-amine.

Molecular Properties

Compound Name4-(4-ethylpiperazin-1-yl)cyclohex-2-en-1-amine
PubChem CID123815338
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name4-(4-ethylpiperazin-1-yl)cyclohex-2-en-1-amine
SMILESCCN1CCN(C2C=CC(N)CC2)CC1
InChIInChI=1S/C12H23N3/c1-2-14-7-9-15(10-8-14)12-5-3-11(13)4-6-12/h3,5,11-12H,2,4,6-10,13H2,1H3
InChIKeyPUAWLQVFFGSBDG-UHFFFAOYSA-N
XLogP0.67
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 50.67
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

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2-Methyl-6-prop-1-enylpiperidine
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1-piperidineethanamine, N-[(2E)-3,7-dimethyl-2,6-octadienyl]-2-ethyl-
CID 6482274
2-((Z)-Prop-1-enyl)piperidine
CID 11051649
2-Methyl-6-(prop-2-enyl)piperidine (pinidine)
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1-(Cyclohexen-1-yl)piperazine
CID 1542471
CID 53405868
CID 53405868
beta-Coniceine, (E)-
CID 11819089
1-[(Cyclohex-1-en-1-yl)methyl]piperidin-4-amine
CID 86678245
6-(4-Ethylpiperazin-1-yl)-6-fluorocyclohexa-2,4-dien-1-amine
CID 118296270
(2S)-1-N-[(4R)-4-fluorocyclohex-2-en-1-yl]-2-N-methylbutane-1,2-diamine
CID 170133644

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazin-1-yl)cyclohex-2-en-1-amine?
The IUPAC name of 4-(4-ethylpiperazin-1-yl)cyclohex-2-en-1-amine (CID 123815338) is 4-(4-ethylpiperazin-1-yl)cyclohex-2-en-1-amine.
What is the SMILES notation for 4-(4-ethylpiperazin-1-yl)cyclohex-2-en-1-amine?
The canonical SMILES for 4-(4-ethylpiperazin-1-yl)cyclohex-2-en-1-amine is CCN1CCN(C2C=CC(N)CC2)CC1.
What is the InChIKey of 4-(4-ethylpiperazin-1-yl)cyclohex-2-en-1-amine?
The InChIKey is PUAWLQVFFGSBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-2-14-7-9-15(10-8-14)12-5-3-11(13)4-6-12/h3,5,11-12H,2,4,6-10,13H2,1H3.
What are the key properties of 4-(4-ethylpiperazin-1-yl)cyclohex-2-en-1-amine?
4-(4-ethylpiperazin-1-yl)cyclohex-2-en-1-amine has a molecular weight of 209.34 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazin-1-yl)cyclohex-2-en-1-amine is sourced from PubChem (CID 123815338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).