4-methyl-4-pentyl-3-propylpiperidine

C14H29N — CID 80560245

IUPAC4-methyl-4-pentyl-3-propylpiperidine
SMILESCCCCCC1(C)CCNCC1CCC
InChIInChI=1S/C14H29N/c1-4-6-7-9-14(3)10-11-15-12-13(14)8-5-2/h13,15H,4-12H2,1-3H3
InChIKeyDFVUSCQGTOQMKE-UHFFFAOYSA-N
MW211.39 g/mol
LogP3.98
Rot. Bonds6

About 4-methyl-4-pentyl-3-propylpiperidine

4-methyl-4-pentyl-3-propylpiperidine (PubChem CID 80560245) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 4-methyl-4-pentyl-3-propylpiperidine.

Molecular Properties

Compound Name4-methyl-4-pentyl-3-propylpiperidine
PubChem CID80560245
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name4-methyl-4-pentyl-3-propylpiperidine
SMILESCCCCCC1(C)CCNCC1CCC
InChIInChI=1S/C14H29N/c1-4-6-7-9-14(3)10-11-15-12-13(14)8-5-2/h13,15H,4-12H2,1-3H3
InChIKeyDFVUSCQGTOQMKE-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.98
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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-pentyl-3-propylpiperidine?
The IUPAC name of 4-methyl-4-pentyl-3-propylpiperidine (CID 80560245) is 4-methyl-4-pentyl-3-propylpiperidine.
What is the SMILES notation for 4-methyl-4-pentyl-3-propylpiperidine?
The canonical SMILES for 4-methyl-4-pentyl-3-propylpiperidine is CCCCCC1(C)CCNCC1CCC.
What is the InChIKey of 4-methyl-4-pentyl-3-propylpiperidine?
The InChIKey is DFVUSCQGTOQMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-4-6-7-9-14(3)10-11-15-12-13(14)8-5-2/h13,15H,4-12H2,1-3H3.
What are the key properties of 4-methyl-4-pentyl-3-propylpiperidine?
4-methyl-4-pentyl-3-propylpiperidine has a molecular weight of 211.39 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-pentyl-3-propylpiperidine is sourced from PubChem (CID 80560245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).