1-[1-(5-ethyl-3-pyridinyl)piperidin-4-yl]-4-methylpiperazine

C17H28N4 — CID 91063273

IUPAC1-[1-(5-ethyl-3-pyridinyl)piperidin-4-yl]-4-methylpiperazine
SMILESCCc1cncc(N2CCC(N3CCN(C)CC3)CC2)c1
InChIInChI=1S/C17H28N4/c1-3-15-12-17(14-18-13-15)20-6-4-16(5-7-20)21-10-8-19(2)9-11-21/h12-14,16H,3-11H2,1-2H3
InChIKeyLVCYOSBWRQPONM-UHFFFAOYSA-N
MW288.44 g/mol
LogP1.86
Rot. Bonds3

About 1-[1-(5-ethyl-3-pyridinyl)piperidin-4-yl]-4-methylpiperazine

1-[1-(5-ethyl-3-pyridinyl)piperidin-4-yl]-4-methylpiperazine (PubChem CID 91063273) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-[1-(5-ethyl-3-pyridinyl)piperidin-4-yl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[1-(5-ethyl-3-pyridinyl)piperidin-4-yl]-4-methylpiperazine
PubChem CID91063273
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name1-[1-(5-ethyl-3-pyridinyl)piperidin-4-yl]-4-methylpiperazine
SMILESCCc1cncc(N2CCC(N3CCN(C)CC3)CC2)c1
InChIInChI=1S/C17H28N4/c1-3-15-12-17(14-18-13-15)20-6-4-16(5-7-20)21-10-8-19(2)9-11-21/h12-14,16H,3-11H2,1-2H3
InChIKeyLVCYOSBWRQPONM-UHFFFAOYSA-N
XLogP1.86
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-ethyl-3-pyridinyl)piperidin-4-yl]-4-methylpiperazine?
The IUPAC name of 1-[1-(5-ethyl-3-pyridinyl)piperidin-4-yl]-4-methylpiperazine (CID 91063273) is 1-[1-(5-ethyl-3-pyridinyl)piperidin-4-yl]-4-methylpiperazine.
What is the SMILES notation for 1-[1-(5-ethyl-3-pyridinyl)piperidin-4-yl]-4-methylpiperazine?
The canonical SMILES for 1-[1-(5-ethyl-3-pyridinyl)piperidin-4-yl]-4-methylpiperazine is CCc1cncc(N2CCC(N3CCN(C)CC3)CC2)c1.
What is the InChIKey of 1-[1-(5-ethyl-3-pyridinyl)piperidin-4-yl]-4-methylpiperazine?
The InChIKey is LVCYOSBWRQPONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-3-15-12-17(14-18-13-15)20-6-4-16(5-7-20)21-10-8-19(2)9-11-21/h12-14,16H,3-11H2,1-2H3.
What are the key properties of 1-[1-(5-ethyl-3-pyridinyl)piperidin-4-yl]-4-methylpiperazine?
1-[1-(5-ethyl-3-pyridinyl)piperidin-4-yl]-4-methylpiperazine has a molecular weight of 288.44 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-ethyl-3-pyridinyl)piperidin-4-yl]-4-methylpiperazine is sourced from PubChem (CID 91063273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).