4-(5-methoxypentan-2-yl)-1-pentadecylpiperidine

C26H53NO — CID 58623460

IUPAC4-(5-methoxypentan-2-yl)-1-pentadecylpiperidine
SMILESCCCCCCCCCCCCCCCN1CCC(C(C)CCCOC)CC1
InChIInChI=1S/C26H53NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21-27-22-19-26(20-23-27)25(2)18-17-24-28-3/h25-26H,4-24H2,1-3H3
InChIKeyAEBIKYLKUNQEAN-UHFFFAOYSA-N
MW395.72 g/mol
LogP7.85
Rot. Bonds19

About 4-(5-methoxypentan-2-yl)-1-pentadecylpiperidine

4-(5-methoxypentan-2-yl)-1-pentadecylpiperidine (PubChem CID 58623460) has the molecular formula C26H53NO and a molecular weight of 395.72 g/mol. Its IUPAC name is 4-(5-methoxypentan-2-yl)-1-pentadecylpiperidine.

Molecular Properties

Compound Name4-(5-methoxypentan-2-yl)-1-pentadecylpiperidine
PubChem CID58623460
Molecular FormulaC26H53NO
Molecular Weight395.72 g/mol
Exact Mass395.41
IUPAC Name4-(5-methoxypentan-2-yl)-1-pentadecylpiperidine
SMILESCCCCCCCCCCCCCCCN1CCC(C(C)CCCOC)CC1
InChIInChI=1S/C26H53NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21-27-22-19-26(20-23-27)25(2)18-17-24-28-3/h25-26H,4-24H2,1-3H3
InChIKeyAEBIKYLKUNQEAN-UHFFFAOYSA-N
XLogP7.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.72
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-decyl-4-propan-2-ylpiperidine
CID 166461232
4-(2-methoxyethyl)-1-octylpiperidine
CID 134254922
1-(1-hexylpiperidin-4-yl)ethanamine
CID 63595820
1-(1-heptylpiperidin-4-yl)ethanol
CID 103688705
4-(1-bromoethyl)-1-heptylpiperidine
CID 106838196
1-hexyl-4-(2-methylpropyl)piperidine
CID 157305841
octan-2-ylcyclopropane
CID 18968125
1-(1-nonylpyrrolidin-3-yl)ethanamine
CID 113360760
4-butoxy-1-(5-methylhexyl)piperidine
CID 156530555
4-[(Z)-icos-11-en-2-yl]-1-[2-[2-[4-[(Z)-icos-11-en-2-yl]piperidin-1-yl]ethyldisulfanyl]ethyl]piperidine
CID 175566716
1-(6-methoxyhexyl)piperidin-4-amine
CID 18001881
4-fluoro-1-octylpiperidine
CID 130358850

Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxypentan-2-yl)-1-pentadecylpiperidine?
The IUPAC name of 4-(5-methoxypentan-2-yl)-1-pentadecylpiperidine (CID 58623460) is 4-(5-methoxypentan-2-yl)-1-pentadecylpiperidine.
What is the SMILES notation for 4-(5-methoxypentan-2-yl)-1-pentadecylpiperidine?
The canonical SMILES for 4-(5-methoxypentan-2-yl)-1-pentadecylpiperidine is CCCCCCCCCCCCCCCN1CCC(C(C)CCCOC)CC1.
What is the InChIKey of 4-(5-methoxypentan-2-yl)-1-pentadecylpiperidine?
The InChIKey is AEBIKYLKUNQEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H53NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21-27-22-19-26(20-23-27)25(2)18-17-24-28-3/h25-26H,4-24H2,1-3H3.
What are the key properties of 4-(5-methoxypentan-2-yl)-1-pentadecylpiperidine?
4-(5-methoxypentan-2-yl)-1-pentadecylpiperidine has a molecular weight of 395.72 g/mol, XLogP of 7.85, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxypentan-2-yl)-1-pentadecylpiperidine is sourced from PubChem (CID 58623460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).