1-[2-(1-methylpiperidin-4-yl)ethyl]-4-pyridin-4-ylpiperazine

C17H28N4 — CID 143388333

IUPAC1-[2-(1-methylpiperidin-4-yl)ethyl]-4-pyridin-4-ylpiperazine
SMILESCN1CCC(CCN2CCN(c3ccncc3)CC2)CC1
InChIInChI=1S/C17H28N4/c1-19-9-4-16(5-10-19)6-11-20-12-14-21(15-13-20)17-2-7-18-8-3-17/h2-3,7-8,16H,4-6,9-15H2,1H3
InChIKeyPMQMLDKJMYQTKN-UHFFFAOYSA-N
MW288.44 g/mol
LogP1.94
Rot. Bonds4

About 1-[2-(1-methylpiperidin-4-yl)ethyl]-4-pyridin-4-ylpiperazine

1-[2-(1-methylpiperidin-4-yl)ethyl]-4-pyridin-4-ylpiperazine (PubChem CID 143388333) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-[2-(1-methylpiperidin-4-yl)ethyl]-4-pyridin-4-ylpiperazine.

Molecular Properties

Compound Name1-[2-(1-methylpiperidin-4-yl)ethyl]-4-pyridin-4-ylpiperazine
PubChem CID143388333
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name1-[2-(1-methylpiperidin-4-yl)ethyl]-4-pyridin-4-ylpiperazine
SMILESCN1CCC(CCN2CCN(c3ccncc3)CC2)CC1
InChIInChI=1S/C17H28N4/c1-19-9-4-16(5-10-19)6-11-20-12-14-21(15-13-20)17-2-7-18-8-3-17/h2-3,7-8,16H,4-6,9-15H2,1H3
InChIKeyPMQMLDKJMYQTKN-UHFFFAOYSA-N
XLogP1.94
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylpiperidin-4-yl)ethyl]-4-pyridin-4-ylpiperazine?
The IUPAC name of 1-[2-(1-methylpiperidin-4-yl)ethyl]-4-pyridin-4-ylpiperazine (CID 143388333) is 1-[2-(1-methylpiperidin-4-yl)ethyl]-4-pyridin-4-ylpiperazine.
What is the SMILES notation for 1-[2-(1-methylpiperidin-4-yl)ethyl]-4-pyridin-4-ylpiperazine?
The canonical SMILES for 1-[2-(1-methylpiperidin-4-yl)ethyl]-4-pyridin-4-ylpiperazine is CN1CCC(CCN2CCN(c3ccncc3)CC2)CC1.
What is the InChIKey of 1-[2-(1-methylpiperidin-4-yl)ethyl]-4-pyridin-4-ylpiperazine?
The InChIKey is PMQMLDKJMYQTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-19-9-4-16(5-10-19)6-11-20-12-14-21(15-13-20)17-2-7-18-8-3-17/h2-3,7-8,16H,4-6,9-15H2,1H3.
What are the key properties of 1-[2-(1-methylpiperidin-4-yl)ethyl]-4-pyridin-4-ylpiperazine?
1-[2-(1-methylpiperidin-4-yl)ethyl]-4-pyridin-4-ylpiperazine has a molecular weight of 288.44 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylpiperidin-4-yl)ethyl]-4-pyridin-4-ylpiperazine is sourced from PubChem (CID 143388333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).