2-heptyl-5-methylpiperidine

C13H27N — CID 106778362

IUPAC2-heptyl-5-methylpiperidine
SMILESCCCCCCCC1CCC(C)CN1
InChIInChI=1S/C13H27N/c1-3-4-5-6-7-8-13-10-9-12(2)11-14-13/h12-14H,3-11H2,1-2H3
InChIKeyBKRQOKZJVLPBSV-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.73
Rot. Bonds6

About 2-heptyl-5-methylpiperidine

2-heptyl-5-methylpiperidine (PubChem CID 106778362) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 2-heptyl-5-methylpiperidine.

Molecular Properties

Compound Name2-heptyl-5-methylpiperidine
PubChem CID106778362
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name2-heptyl-5-methylpiperidine
SMILESCCCCCCCC1CCC(C)CN1
InChIInChI=1S/C13H27N/c1-3-4-5-6-7-8-13-10-9-12(2)11-14-13/h12-14H,3-11H2,1-2H3
InChIKeyBKRQOKZJVLPBSV-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-hexyl-5-methylpiperidine
CID 106778394
(2S,4S)-2-hexyl-4-methylpyrrolidine
CID 101063075
(2S,5R)-2-hexyl-5-nonylpyrrolidine
CID 163001890
2-hexyl-5-methylpiperazine
CID 153393891
2-pentylaziridine
CID 19101061
6-nonylpiperidine-3-sulfonamide
CID 106778339
(2S,5R)-2-methyl-5-pentadecylpyrrolidine
CID 15722672
(2S,5S)-2-methyl-5-nonylpyrrolidine
CID 15722669
(2S)-2-hexylpyrrolidine
CID 7047826
(2R,5S)-2,5-dipentylpyrrolidine
CID 15831903
2-tetradecylpiperidine
CID 151771246
5-methyl-2-(3-methylpentyl)piperidine
CID 112556928

Frequently Asked Questions

What is the IUPAC name of 2-heptyl-5-methylpiperidine?
The IUPAC name of 2-heptyl-5-methylpiperidine (CID 106778362) is 2-heptyl-5-methylpiperidine.
What is the SMILES notation for 2-heptyl-5-methylpiperidine?
The canonical SMILES for 2-heptyl-5-methylpiperidine is CCCCCCCC1CCC(C)CN1.
What is the InChIKey of 2-heptyl-5-methylpiperidine?
The InChIKey is BKRQOKZJVLPBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-3-4-5-6-7-8-13-10-9-12(2)11-14-13/h12-14H,3-11H2,1-2H3.
What are the key properties of 2-heptyl-5-methylpiperidine?
2-heptyl-5-methylpiperidine has a molecular weight of 197.37 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptyl-5-methylpiperidine is sourced from PubChem (CID 106778362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).