1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4-(1-methylpiperidin-4-yl)piperazine

C18H34N4 — CID 154548754

IUPAC1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4-(1-methylpiperidin-4-yl)piperazine
SMILESCC1=CCN(CCN2CCN(C3CCN(C)CC3)CC2)CC1
InChIInChI=1S/C18H34N4/c1-17-3-9-20(10-4-17)11-12-21-13-15-22(16-14-21)18-5-7-19(2)8-6-18/h3,18H,4-16H2,1-2H3
InChIKeySUNBRUIUWNERNZ-UHFFFAOYSA-N
MW306.50 g/mol
LogP1.35
Rot. Bonds4

About 1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4-(1-methylpiperidin-4-yl)piperazine

1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4-(1-methylpiperidin-4-yl)piperazine (PubChem CID 154548754) has the molecular formula C18H34N4 and a molecular weight of 306.50 g/mol. Its IUPAC name is 1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4-(1-methylpiperidin-4-yl)piperazine.

Molecular Properties

Compound Name1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4-(1-methylpiperidin-4-yl)piperazine
PubChem CID154548754
Molecular FormulaC18H34N4
Molecular Weight306.50 g/mol
Exact Mass306.28
IUPAC Name1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4-(1-methylpiperidin-4-yl)piperazine
SMILESCC1=CCN(CCN2CCN(C3CCN(C)CC3)CC2)CC1
InChIInChI=1S/C18H34N4/c1-17-3-9-20(10-4-17)11-12-21-13-15-22(16-14-21)18-5-7-19(2)8-6-18/h3,18H,4-16H2,1-2H3
InChIKeySUNBRUIUWNERNZ-UHFFFAOYSA-N
XLogP1.35
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.50
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4-(1-methylpiperidin-4-yl)piperazine?
The IUPAC name of 1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4-(1-methylpiperidin-4-yl)piperazine (CID 154548754) is 1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4-(1-methylpiperidin-4-yl)piperazine.
What is the SMILES notation for 1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4-(1-methylpiperidin-4-yl)piperazine?
The canonical SMILES for 1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4-(1-methylpiperidin-4-yl)piperazine is CC1=CCN(CCN2CCN(C3CCN(C)CC3)CC2)CC1.
What is the InChIKey of 1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4-(1-methylpiperidin-4-yl)piperazine?
The InChIKey is SUNBRUIUWNERNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4/c1-17-3-9-20(10-4-17)11-12-21-13-15-22(16-14-21)18-5-7-19(2)8-6-18/h3,18H,4-16H2,1-2H3.
What are the key properties of 1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4-(1-methylpiperidin-4-yl)piperazine?
1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4-(1-methylpiperidin-4-yl)piperazine has a molecular weight of 306.50 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4-(1-methylpiperidin-4-yl)piperazine is sourced from PubChem (CID 154548754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).