1-butyl-3-methylpiperidine;ethane

C12H27N — CID 143349503

IUPAC1-butyl-3-methylpiperidine;ethane
SMILESCC.CCCCN1CCCC(C)C1
InChIInChI=1S/C10H21N.C2H6/c1-3-4-7-11-8-5-6-10(2)9-11;1-2/h10H,3-9H2,1-2H3;1-2H3
InChIKeyYWBUNVRHRCZRIJ-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.54
Rot. Bonds3

About 1-butyl-3-methylpiperidine;ethane

1-butyl-3-methylpiperidine;ethane (PubChem CID 143349503) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is 1-butyl-3-methylpiperidine;ethane.

Molecular Properties

Compound Name1-butyl-3-methylpiperidine;ethane
PubChem CID143349503
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC Name1-butyl-3-methylpiperidine;ethane
SMILESCC.CCCCN1CCCC(C)C1
InChIInChI=1S/C10H21N.C2H6/c1-3-4-7-11-8-5-6-10(2)9-11;1-2/h10H,3-9H2,1-2H3;1-2H3
InChIKeyYWBUNVRHRCZRIJ-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-heptyl-3-methylpiperidine;methanesulfonic acid
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ethane;1-ethyl-3-methylpiperidine
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3-bromo-1-butylpiperidine
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1-butyl-N-methylpiperidin-3-amine
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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-methylpiperidine;ethane?
The IUPAC name of 1-butyl-3-methylpiperidine;ethane (CID 143349503) is 1-butyl-3-methylpiperidine;ethane.
What is the SMILES notation for 1-butyl-3-methylpiperidine;ethane?
The canonical SMILES for 1-butyl-3-methylpiperidine;ethane is CC.CCCCN1CCCC(C)C1.
What is the InChIKey of 1-butyl-3-methylpiperidine;ethane?
The InChIKey is YWBUNVRHRCZRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.C2H6/c1-3-4-7-11-8-5-6-10(2)9-11;1-2/h10H,3-9H2,1-2H3;1-2H3.
What are the key properties of 1-butyl-3-methylpiperidine;ethane?
1-butyl-3-methylpiperidine;ethane has a molecular weight of 185.35 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-methylpiperidine;ethane is sourced from PubChem (CID 143349503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).