(2E)-N,N-dimethyl-4-[3-methylidene-4-(1-methylpiperidin-4-yl)piperazin-1-yl]penta-2,4-dien-1-amine

C18H32N4 — CID 176557391

IUPAC(2E)-N,N-dimethyl-4-[3-methylidene-4-(1-methylpiperidin-4-yl)piperazin-1-yl]penta-2,4-dien-1-amine
SMILESC=C(/C=C/CN(C)C)N1CCN(C2CCN(C)CC2)C(=C)C1
InChIInChI=1S/C18H32N4/c1-16(7-6-10-19(3)4)21-13-14-22(17(2)15-21)18-8-11-20(5)12-9-18/h6-7,18H,1-2,8-15H2,3-5H3/b7-6+
InChIKeyMUMHTOWXPNFKPG-VOTSOKGWSA-N
MW304.48 g/mol
LogP1.84
Rot. Bonds5

About (2E)-N,N-dimethyl-4-[3-methylidene-4-(1-methylpiperidin-4-yl)piperazin-1-yl]penta-2,4-dien-1-amine

(2E)-N,N-dimethyl-4-[3-methylidene-4-(1-methylpiperidin-4-yl)piperazin-1-yl]penta-2,4-dien-1-amine (PubChem CID 176557391) has the molecular formula C18H32N4 and a molecular weight of 304.48 g/mol. Its IUPAC name is (2E)-N,N-dimethyl-4-[3-methylidene-4-(1-methylpiperidin-4-yl)piperazin-1-yl]penta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E)-N,N-dimethyl-4-[3-methylidene-4-(1-methylpiperidin-4-yl)piperazin-1-yl]penta-2,4-dien-1-amine
PubChem CID176557391
Molecular FormulaC18H32N4
Molecular Weight304.48 g/mol
Exact Mass304.26
IUPAC Name(2E)-N,N-dimethyl-4-[3-methylidene-4-(1-methylpiperidin-4-yl)piperazin-1-yl]penta-2,4-dien-1-amine
SMILESC=C(/C=C/CN(C)C)N1CCN(C2CCN(C)CC2)C(=C)C1
InChIInChI=1S/C18H32N4/c1-16(7-6-10-19(3)4)21-13-14-22(17(2)15-21)18-8-11-20(5)12-9-18/h6-7,18H,1-2,8-15H2,3-5H3/b7-6+
InChIKeyMUMHTOWXPNFKPG-VOTSOKGWSA-N
XLogP1.84
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-N,N-dimethyl-4-[3-methylidene-4-(1-methylpiperidin-4-yl)piperazin-1-yl]penta-2,4-dien-1-amine?
The IUPAC name of (2E)-N,N-dimethyl-4-[3-methylidene-4-(1-methylpiperidin-4-yl)piperazin-1-yl]penta-2,4-dien-1-amine (CID 176557391) is (2E)-N,N-dimethyl-4-[3-methylidene-4-(1-methylpiperidin-4-yl)piperazin-1-yl]penta-2,4-dien-1-amine.
What is the SMILES notation for (2E)-N,N-dimethyl-4-[3-methylidene-4-(1-methylpiperidin-4-yl)piperazin-1-yl]penta-2,4-dien-1-amine?
The canonical SMILES for (2E)-N,N-dimethyl-4-[3-methylidene-4-(1-methylpiperidin-4-yl)piperazin-1-yl]penta-2,4-dien-1-amine is C=C(/C=C/CN(C)C)N1CCN(C2CCN(C)CC2)C(=C)C1.
What is the InChIKey of (2E)-N,N-dimethyl-4-[3-methylidene-4-(1-methylpiperidin-4-yl)piperazin-1-yl]penta-2,4-dien-1-amine?
The InChIKey is MUMHTOWXPNFKPG-VOTSOKGWSA-N. The full InChI is InChI=1S/C18H32N4/c1-16(7-6-10-19(3)4)21-13-14-22(17(2)15-21)18-8-11-20(5)12-9-18/h6-7,18H,1-2,8-15H2,3-5H3/b7-6+.
What are the key properties of (2E)-N,N-dimethyl-4-[3-methylidene-4-(1-methylpiperidin-4-yl)piperazin-1-yl]penta-2,4-dien-1-amine?
(2E)-N,N-dimethyl-4-[3-methylidene-4-(1-methylpiperidin-4-yl)piperazin-1-yl]penta-2,4-dien-1-amine has a molecular weight of 304.48 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N,N-dimethyl-4-[3-methylidene-4-(1-methylpiperidin-4-yl)piperazin-1-yl]penta-2,4-dien-1-amine is sourced from PubChem (CID 176557391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).