1-(6-butan-2-yl-3-pyridinyl)-4-methylpiperazine

C14H23N3 — CID 139538940

IUPAC1-(6-butan-2-yl-3-pyridinyl)-4-methylpiperazine
SMILESCCC(C)c1ccc(N2CCN(C)CC2)cn1
InChIInChI=1S/C14H23N3/c1-4-12(2)14-6-5-13(11-15-14)17-9-7-16(3)8-10-17/h5-6,11-12H,4,7-10H2,1-3H3
InChIKeyQQNBZHSXAYWYSD-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.35
Rot. Bonds3

About 1-(6-butan-2-yl-3-pyridinyl)-4-methylpiperazine

1-(6-butan-2-yl-3-pyridinyl)-4-methylpiperazine (PubChem CID 139538940) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-(6-butan-2-yl-3-pyridinyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(6-butan-2-yl-3-pyridinyl)-4-methylpiperazine
PubChem CID139538940
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name1-(6-butan-2-yl-3-pyridinyl)-4-methylpiperazine
SMILESCCC(C)c1ccc(N2CCN(C)CC2)cn1
InChIInChI=1S/C14H23N3/c1-4-12(2)14-6-5-13(11-15-14)17-9-7-16(3)8-10-17/h5-6,11-12H,4,7-10H2,1-3H3
InChIKeyQQNBZHSXAYWYSD-UHFFFAOYSA-N
XLogP2.35
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-butan-2-yl-5-(3-ethylpiperidin-1-yl)pyridine
CID 164926942
1-[5-(4-butan-2-ylpiperazin-1-yl)-2-pyridinyl]propan-1-ol
CID 115940446
5-(4-methylpiperazin-1-yl)-N-propan-2-ylpyridin-2-amine
CID 90810476
(1R)-1-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]propan-1-amine
CID 113355072
1-(6-chloro-3-pyridinyl)-4-methylpiperazine
CID 75355748
(1R)-1-[5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-pyridinyl]propan-1-ol
CID 103938818
1-(6-propan-2-yl-3-pyridinyl)azepane
CID 156651925
(1S)-1-[5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-pyridinyl]propan-1-ol
CID 103938701
(1S)-1-[5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]propan-1-amine
CID 103937012
(1R)-1-[5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-pyridinyl]propan-1-ol
CID 113356003
(1S)-1-(5-thiomorpholin-4-yl-2-pyridinyl)propan-1-ol
CID 103938335
1-[4-[6-[(1R)-1-aminopropyl]-3-pyridinyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 103937415

Frequently Asked Questions

What is the IUPAC name of 1-(6-butan-2-yl-3-pyridinyl)-4-methylpiperazine?
The IUPAC name of 1-(6-butan-2-yl-3-pyridinyl)-4-methylpiperazine (CID 139538940) is 1-(6-butan-2-yl-3-pyridinyl)-4-methylpiperazine.
What is the SMILES notation for 1-(6-butan-2-yl-3-pyridinyl)-4-methylpiperazine?
The canonical SMILES for 1-(6-butan-2-yl-3-pyridinyl)-4-methylpiperazine is CCC(C)c1ccc(N2CCN(C)CC2)cn1.
What is the InChIKey of 1-(6-butan-2-yl-3-pyridinyl)-4-methylpiperazine?
The InChIKey is QQNBZHSXAYWYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-4-12(2)14-6-5-13(11-15-14)17-9-7-16(3)8-10-17/h5-6,11-12H,4,7-10H2,1-3H3.
What are the key properties of 1-(6-butan-2-yl-3-pyridinyl)-4-methylpiperazine?
1-(6-butan-2-yl-3-pyridinyl)-4-methylpiperazine has a molecular weight of 233.36 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-butan-2-yl-3-pyridinyl)-4-methylpiperazine is sourced from PubChem (CID 139538940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).