1-methyl-4-[(E)-8-(1-methylpiperidin-4-yl)oct-6-en-3-yl]piperazine

C19H37N3 — CID 170361831

IUPAC1-methyl-4-[(E)-8-(1-methylpiperidin-4-yl)oct-6-en-3-yl]piperazine
SMILESCCC(CC/C=C/CC1CCN(C)CC1)N1CCN(C)CC1
InChIInChI=1S/C19H37N3/c1-4-19(22-16-14-21(3)15-17-22)9-7-5-6-8-18-10-12-20(2)13-11-18/h5-6,18-19H,4,7-17H2,1-3H3/b6-5+
InChIKeyPHFOKEJZIRCCJZ-AATRIKPKSA-N
MW307.53 g/mol
LogP3.08
Rot. Bonds7

About 1-methyl-4-[(E)-8-(1-methylpiperidin-4-yl)oct-6-en-3-yl]piperazine

1-methyl-4-[(E)-8-(1-methylpiperidin-4-yl)oct-6-en-3-yl]piperazine (PubChem CID 170361831) has the molecular formula C19H37N3 and a molecular weight of 307.53 g/mol. Its IUPAC name is 1-methyl-4-[(E)-8-(1-methylpiperidin-4-yl)oct-6-en-3-yl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[(E)-8-(1-methylpiperidin-4-yl)oct-6-en-3-yl]piperazine
PubChem CID170361831
Molecular FormulaC19H37N3
Molecular Weight307.53 g/mol
Exact Mass307.30
IUPAC Name1-methyl-4-[(E)-8-(1-methylpiperidin-4-yl)oct-6-en-3-yl]piperazine
SMILESCCC(CC/C=C/CC1CCN(C)CC1)N1CCN(C)CC1
InChIInChI=1S/C19H37N3/c1-4-19(22-16-14-21(3)15-17-22)9-7-5-6-8-18-10-12-20(2)13-11-18/h5-6,18-19H,4,7-17H2,1-3H3/b6-5+
InChIKeyPHFOKEJZIRCCJZ-AATRIKPKSA-N
XLogP3.08
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.53
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(E)-8-(1-methylpiperidin-4-yl)oct-6-en-3-yl]piperazine?
The IUPAC name of 1-methyl-4-[(E)-8-(1-methylpiperidin-4-yl)oct-6-en-3-yl]piperazine (CID 170361831) is 1-methyl-4-[(E)-8-(1-methylpiperidin-4-yl)oct-6-en-3-yl]piperazine.
What is the SMILES notation for 1-methyl-4-[(E)-8-(1-methylpiperidin-4-yl)oct-6-en-3-yl]piperazine?
The canonical SMILES for 1-methyl-4-[(E)-8-(1-methylpiperidin-4-yl)oct-6-en-3-yl]piperazine is CCC(CC/C=C/CC1CCN(C)CC1)N1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-[(E)-8-(1-methylpiperidin-4-yl)oct-6-en-3-yl]piperazine?
The InChIKey is PHFOKEJZIRCCJZ-AATRIKPKSA-N. The full InChI is InChI=1S/C19H37N3/c1-4-19(22-16-14-21(3)15-17-22)9-7-5-6-8-18-10-12-20(2)13-11-18/h5-6,18-19H,4,7-17H2,1-3H3/b6-5+.
What are the key properties of 1-methyl-4-[(E)-8-(1-methylpiperidin-4-yl)oct-6-en-3-yl]piperazine?
1-methyl-4-[(E)-8-(1-methylpiperidin-4-yl)oct-6-en-3-yl]piperazine has a molecular weight of 307.53 g/mol, XLogP of 3.08, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(E)-8-(1-methylpiperidin-4-yl)oct-6-en-3-yl]piperazine is sourced from PubChem (CID 170361831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).