1-methyl-4-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperazine

C13H22N2 — CID 143258802

IUPAC1-methyl-4-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperazine
SMILESC=C/C=C(\C=C/C)CN1CCN(C)CC1
InChIInChI=1S/C13H22N2/c1-4-6-13(7-5-2)12-15-10-8-14(3)9-11-15/h4-7H,1,8-12H2,2-3H3/b7-5-,13-6+
InChIKeyJBKJDSMQWNSDKX-IILXRZLBSA-N
MW206.33 g/mol
LogP1.92
Rot. Bonds4

About 1-methyl-4-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperazine

1-methyl-4-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperazine (PubChem CID 143258802) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-methyl-4-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperazine
PubChem CID143258802
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name1-methyl-4-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperazine
SMILESC=C/C=C(\C=C/C)CN1CCN(C)CC1
InChIInChI=1S/C13H22N2/c1-4-6-13(7-5-2)12-15-10-8-14(3)9-11-15/h4-7H,1,8-12H2,2-3H3/b7-5-,13-6+
InChIKeyJBKJDSMQWNSDKX-IILXRZLBSA-N
XLogP1.92
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Piperazine, 1-allyl-4-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-
CID 6446858
2,6-Bis(dimethylaminomethyl)phenyllithium
CID 11830389
2-Diethylaminomethylphenyllithium
CID 21399648
1-[2-Ethylidene-3-(trifluoromethyl)pent-3-enyl]-4-methylpiperazine
CID 123401847
1-Methyl-4-[2-(1,1,1-trifluoropropan-2-ylidene)pent-3-enyl]piperazine
CID 123611666
1-Ethyl-4-[2-methyl-3-(trifluoromethyl)penta-2,4-dienyl]piperazine
CID 123728932
1-[2-Ethenyl-3-(trifluoromethyl)penta-2,4-dienyl]-4-ethylpiperazine
CID 123762068
1-[2-(3,3-Difluorobutan-2-ylidene)hex-3-enyl]-4-ethylpiperazine
CID 123900297
1-Methyl-4-[2-(3,3,3-trifluoroprop-1-en-2-yl)but-2-enyl]piperazine
CID 123958710
1-Methyl-4-[2-(3,3,3-trifluoroprop-1-en-2-yl)penta-2,4-dienyl]piperazine
CID 124021711
1-[(2Z)-2-[(E)-1-fluoroprop-1-enyl]penta-2,4-dienyl]-4-methylpiperazine
CID 129043271
N'-[(Z)-2-ethenyl-3-fluoropent-2-enyl]-N,N'-diethyl-N-methylethane-1,2-diamine
CID 139566303

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperazine?
The IUPAC name of 1-methyl-4-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperazine (CID 143258802) is 1-methyl-4-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperazine.
What is the SMILES notation for 1-methyl-4-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperazine?
The canonical SMILES for 1-methyl-4-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperazine is C=C/C=C(\C=C/C)CN1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperazine?
The InChIKey is JBKJDSMQWNSDKX-IILXRZLBSA-N. The full InChI is InChI=1S/C13H22N2/c1-4-6-13(7-5-2)12-15-10-8-14(3)9-11-15/h4-7H,1,8-12H2,2-3H3/b7-5-,13-6+.
What are the key properties of 1-methyl-4-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperazine?
1-methyl-4-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperazine has a molecular weight of 206.33 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperazine is sourced from PubChem (CID 143258802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).