1-butyl-4-methylpiperazine;ethane;2-methylpyridine

C17H33N3 — CID 144514964

IUPAC1-butyl-4-methylpiperazine;ethane;2-methylpyridine
SMILESCC.CCCCN1CCN(C)CC1.Cc1ccccn1
InChIInChI=1S/C9H20N2.C6H7N.C2H6/c1-3-4-5-11-8-6-10(2)7-9-11;1-6-4-2-3-5-7-6;1-2/h3-9H2,1-2H3;2-5H,1H3;1-2H3
InChIKeyUIBOUPPFVAKHFG-UHFFFAOYSA-N
MW279.47 g/mol
LogP3.45
Rot. Bonds3

About 1-butyl-4-methylpiperazine;ethane;2-methylpyridine

1-butyl-4-methylpiperazine;ethane;2-methylpyridine (PubChem CID 144514964) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 1-butyl-4-methylpiperazine;ethane;2-methylpyridine.

Molecular Properties

Compound Name1-butyl-4-methylpiperazine;ethane;2-methylpyridine
PubChem CID144514964
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name1-butyl-4-methylpiperazine;ethane;2-methylpyridine
SMILESCC.CCCCN1CCN(C)CC1.Cc1ccccn1
InChIInChI=1S/C9H20N2.C6H7N.C2H6/c1-3-4-5-11-8-6-10(2)7-9-11;1-6-4-2-3-5-7-6;1-2/h3-9H2,1-2H3;2-5H,1H3;1-2H3
InChIKeyUIBOUPPFVAKHFG-UHFFFAOYSA-N
XLogP3.45
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

butane;2-methylpyridine;propane
CID 171077595
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1-[2-(2-butoxyphenoxy)ethyl]-4-methylpiperazine;hydrochloride
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1-butyl-N-(pyridin-2-ylmethyl)piperidin-4-amine
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1-methyl-4-[(2-methyl-3-pyridinyl)methyl]piperazine
CID 71302088
1-[3-(4-methylpiperazin-1-yl)propyl]-4-pyridin-2-yl-2,3-dihydroquinoxaline
CID 175886353
2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]pyridin-3-amine
CID 11219398
1-methyl-4-[3-(2-pentoxyphenyl)propyl]piperazine
CID 170863422
7-[3-(4-methylpiperazin-1-yl)propyl]quinoline
CID 170863487
8-(4-pentylpiperazin-1-yl)quinoline
CID 20649338
1-butyl-4-methylpiperazine;N,N-dimethylpropan-1-amine;ethane
CID 166169560

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-methylpiperazine;ethane;2-methylpyridine?
The IUPAC name of 1-butyl-4-methylpiperazine;ethane;2-methylpyridine (CID 144514964) is 1-butyl-4-methylpiperazine;ethane;2-methylpyridine.
What is the SMILES notation for 1-butyl-4-methylpiperazine;ethane;2-methylpyridine?
The canonical SMILES for 1-butyl-4-methylpiperazine;ethane;2-methylpyridine is CC.CCCCN1CCN(C)CC1.Cc1ccccn1.
What is the InChIKey of 1-butyl-4-methylpiperazine;ethane;2-methylpyridine?
The InChIKey is UIBOUPPFVAKHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2.C6H7N.C2H6/c1-3-4-5-11-8-6-10(2)7-9-11;1-6-4-2-3-5-7-6;1-2/h3-9H2,1-2H3;2-5H,1H3;1-2H3.
What are the key properties of 1-butyl-4-methylpiperazine;ethane;2-methylpyridine?
1-butyl-4-methylpiperazine;ethane;2-methylpyridine has a molecular weight of 279.47 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-methylpiperazine;ethane;2-methylpyridine is sourced from PubChem (CID 144514964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).