2-methyl-1-(5-methylhexyl)piperidine

C13H27N — CID 142939607

IUPAC2-methyl-1-(5-methylhexyl)piperidine
SMILESCC(C)CCCCN1CCCCC1C
InChIInChI=1S/C13H27N/c1-12(2)8-4-6-10-14-11-7-5-9-13(14)3/h12-13H,4-11H2,1-3H3
InChIKeyACMINDPBDVHZCD-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.69
Rot. Bonds5

About 2-methyl-1-(5-methylhexyl)piperidine

2-methyl-1-(5-methylhexyl)piperidine (PubChem CID 142939607) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 2-methyl-1-(5-methylhexyl)piperidine.

Molecular Properties

Compound Name2-methyl-1-(5-methylhexyl)piperidine
PubChem CID142939607
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name2-methyl-1-(5-methylhexyl)piperidine
SMILESCC(C)CCCCN1CCCCC1C
InChIInChI=1S/C13H27N/c1-12(2)8-4-6-10-14-11-7-5-9-13(14)3/h12-13H,4-11H2,1-3H3
InChIKeyACMINDPBDVHZCD-UHFFFAOYSA-N
XLogP3.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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1-(3-bromopropyl)-2-methylpiperidine;hydrobromide
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(2R)-2-amino-4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]pentanamide
CID 104902575
2-methyl-1-(4-methylpentyl)piperidine-4-carboxylic acid
CID 106745070
1-methyl-4-[3-(2-methylpiperidin-1-yl)propyl]piperazine
CID 174676433
methanidyl-[3-(2-methylpiperidin-1-yl)propyl]azanium
CID 23545715
O-[3-(2-methylpiperidin-1-yl)propyl]hydroxylamine
CID 55270241
9-(2-methylpyrrolidin-1-yl)nonane-1-thiol
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1-(5-chloropentyl)-2-methylpyrrolidine
CID 61288938
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(5-methylhexyl)piperidine?
The IUPAC name of 2-methyl-1-(5-methylhexyl)piperidine (CID 142939607) is 2-methyl-1-(5-methylhexyl)piperidine.
What is the SMILES notation for 2-methyl-1-(5-methylhexyl)piperidine?
The canonical SMILES for 2-methyl-1-(5-methylhexyl)piperidine is CC(C)CCCCN1CCCCC1C.
What is the InChIKey of 2-methyl-1-(5-methylhexyl)piperidine?
The InChIKey is ACMINDPBDVHZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-12(2)8-4-6-10-14-11-7-5-9-13(14)3/h12-13H,4-11H2,1-3H3.
What are the key properties of 2-methyl-1-(5-methylhexyl)piperidine?
2-methyl-1-(5-methylhexyl)piperidine has a molecular weight of 197.37 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(5-methylhexyl)piperidine is sourced from PubChem (CID 142939607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).