1-[5-[2-(1,4-dioxan-2-yl)ethyl]-3-pyridinyl]-4-methylpiperazine

C16H25N3O2 — CID 151135992

IUPAC1-[5-[2-(1,4-dioxan-2-yl)ethyl]-3-pyridinyl]-4-methylpiperazine
SMILESCN1CCN(c2cncc(CCC3COCCO3)c2)CC1
InChIInChI=1S/C16H25N3O2/c1-18-4-6-19(7-5-18)15-10-14(11-17-12-15)2-3-16-13-20-8-9-21-16/h10-12,16H,2-9,13H2,1H3
InChIKeyMVFKGXJISNUYGS-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.18
Rot. Bonds4

About 1-[5-[2-(1,4-dioxan-2-yl)ethyl]-3-pyridinyl]-4-methylpiperazine

1-[5-[2-(1,4-dioxan-2-yl)ethyl]-3-pyridinyl]-4-methylpiperazine (PubChem CID 151135992) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-[5-[2-(1,4-dioxan-2-yl)ethyl]-3-pyridinyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[5-[2-(1,4-dioxan-2-yl)ethyl]-3-pyridinyl]-4-methylpiperazine
PubChem CID151135992
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name1-[5-[2-(1,4-dioxan-2-yl)ethyl]-3-pyridinyl]-4-methylpiperazine
SMILESCN1CCN(c2cncc(CCC3COCCO3)c2)CC1
InChIInChI=1S/C16H25N3O2/c1-18-4-6-19(7-5-18)15-10-14(11-17-12-15)2-3-16-13-20-8-9-21-16/h10-12,16H,2-9,13H2,1H3
InChIKeyMVFKGXJISNUYGS-UHFFFAOYSA-N
XLogP1.18
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(1,4-dioxan-2-yl)ethyl]-3-pyridinyl]-4-methylpiperazine?
The IUPAC name of 1-[5-[2-(1,4-dioxan-2-yl)ethyl]-3-pyridinyl]-4-methylpiperazine (CID 151135992) is 1-[5-[2-(1,4-dioxan-2-yl)ethyl]-3-pyridinyl]-4-methylpiperazine.
What is the SMILES notation for 1-[5-[2-(1,4-dioxan-2-yl)ethyl]-3-pyridinyl]-4-methylpiperazine?
The canonical SMILES for 1-[5-[2-(1,4-dioxan-2-yl)ethyl]-3-pyridinyl]-4-methylpiperazine is CN1CCN(c2cncc(CCC3COCCO3)c2)CC1.
What is the InChIKey of 1-[5-[2-(1,4-dioxan-2-yl)ethyl]-3-pyridinyl]-4-methylpiperazine?
The InChIKey is MVFKGXJISNUYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-18-4-6-19(7-5-18)15-10-14(11-17-12-15)2-3-16-13-20-8-9-21-16/h10-12,16H,2-9,13H2,1H3.
What are the key properties of 1-[5-[2-(1,4-dioxan-2-yl)ethyl]-3-pyridinyl]-4-methylpiperazine?
1-[5-[2-(1,4-dioxan-2-yl)ethyl]-3-pyridinyl]-4-methylpiperazine has a molecular weight of 291.39 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(1,4-dioxan-2-yl)ethyl]-3-pyridinyl]-4-methylpiperazine is sourced from PubChem (CID 151135992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).