1-[1-[(3E)-2-methoxy-5-methylideneocta-1,3-dien-4-yl]piperidin-4-yl]-4-methylpiperazine

C20H35N3O — CID 165394723

IUPAC1-[1-[(3E)-2-methoxy-5-methylideneocta-1,3-dien-4-yl]piperidin-4-yl]-4-methylpiperazine
SMILESC=C(/C=C(\C(=C)CCC)N1CCC(N2CCN(C)CC2)CC1)OC
InChIInChI=1S/C20H35N3O/c1-6-7-17(2)20(16-18(3)24-5)23-10-8-19(9-11-23)22-14-12-21(4)13-15-22/h16,19H,2-3,6-15H2,1,4-5H3/b20-16+
InChIKeyRJDOQPSQRJJGJD-CAPFRKAQSA-N
MW333.52 g/mol
LogP3.10
Rot. Bonds7

About 1-[1-[(3E)-2-methoxy-5-methylideneocta-1,3-dien-4-yl]piperidin-4-yl]-4-methylpiperazine

1-[1-[(3E)-2-methoxy-5-methylideneocta-1,3-dien-4-yl]piperidin-4-yl]-4-methylpiperazine (PubChem CID 165394723) has the molecular formula C20H35N3O and a molecular weight of 333.52 g/mol. Its IUPAC name is 1-[1-[(3E)-2-methoxy-5-methylideneocta-1,3-dien-4-yl]piperidin-4-yl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[1-[(3E)-2-methoxy-5-methylideneocta-1,3-dien-4-yl]piperidin-4-yl]-4-methylpiperazine
PubChem CID165394723
Molecular FormulaC20H35N3O
Molecular Weight333.52 g/mol
Exact Mass333.28
IUPAC Name1-[1-[(3E)-2-methoxy-5-methylideneocta-1,3-dien-4-yl]piperidin-4-yl]-4-methylpiperazine
SMILESC=C(/C=C(\C(=C)CCC)N1CCC(N2CCN(C)CC2)CC1)OC
InChIInChI=1S/C20H35N3O/c1-6-7-17(2)20(16-18(3)24-5)23-10-8-19(9-11-23)22-14-12-21(4)13-15-22/h16,19H,2-3,6-15H2,1,4-5H3/b20-16+
InChIKeyRJDOQPSQRJJGJD-CAPFRKAQSA-N
XLogP3.10
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.52
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3E)-2-methoxy-5-methylideneocta-1,3-dien-4-yl]piperidin-4-yl]-4-methylpiperazine?
The IUPAC name of 1-[1-[(3E)-2-methoxy-5-methylideneocta-1,3-dien-4-yl]piperidin-4-yl]-4-methylpiperazine (CID 165394723) is 1-[1-[(3E)-2-methoxy-5-methylideneocta-1,3-dien-4-yl]piperidin-4-yl]-4-methylpiperazine.
What is the SMILES notation for 1-[1-[(3E)-2-methoxy-5-methylideneocta-1,3-dien-4-yl]piperidin-4-yl]-4-methylpiperazine?
The canonical SMILES for 1-[1-[(3E)-2-methoxy-5-methylideneocta-1,3-dien-4-yl]piperidin-4-yl]-4-methylpiperazine is C=C(/C=C(\C(=C)CCC)N1CCC(N2CCN(C)CC2)CC1)OC.
What is the InChIKey of 1-[1-[(3E)-2-methoxy-5-methylideneocta-1,3-dien-4-yl]piperidin-4-yl]-4-methylpiperazine?
The InChIKey is RJDOQPSQRJJGJD-CAPFRKAQSA-N. The full InChI is InChI=1S/C20H35N3O/c1-6-7-17(2)20(16-18(3)24-5)23-10-8-19(9-11-23)22-14-12-21(4)13-15-22/h16,19H,2-3,6-15H2,1,4-5H3/b20-16+.
What are the key properties of 1-[1-[(3E)-2-methoxy-5-methylideneocta-1,3-dien-4-yl]piperidin-4-yl]-4-methylpiperazine?
1-[1-[(3E)-2-methoxy-5-methylideneocta-1,3-dien-4-yl]piperidin-4-yl]-4-methylpiperazine has a molecular weight of 333.52 g/mol, XLogP of 3.10, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3E)-2-methoxy-5-methylideneocta-1,3-dien-4-yl]piperidin-4-yl]-4-methylpiperazine is sourced from PubChem (CID 165394723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).