4-(4-butyl-3-ethyltridecan-3-yl)piperidine

C24H49N — CID 123229477

IUPAC4-(4-butyl-3-ethyltridecan-3-yl)piperidine
SMILESCCCCCCCCCC(CCCC)C(CC)(CC)C1CCNCC1
InChIInChI=1S/C24H49N/c1-5-9-11-12-13-14-15-17-22(16-10-6-2)24(7-3,8-4)23-18-20-25-21-19-23/h22-23,25H,5-21H2,1-4H3
InChIKeySBJAYDVKCLRVSP-UHFFFAOYSA-N
MW351.66 g/mol
LogP7.74
Rot. Bonds15

About 4-(4-butyl-3-ethyltridecan-3-yl)piperidine

4-(4-butyl-3-ethyltridecan-3-yl)piperidine (PubChem CID 123229477) has the molecular formula C24H49N and a molecular weight of 351.66 g/mol. Its IUPAC name is 4-(4-butyl-3-ethyltridecan-3-yl)piperidine.

Molecular Properties

Compound Name4-(4-butyl-3-ethyltridecan-3-yl)piperidine
PubChem CID123229477
Molecular FormulaC24H49N
Molecular Weight351.66 g/mol
Exact Mass351.39
IUPAC Name4-(4-butyl-3-ethyltridecan-3-yl)piperidine
SMILESCCCCCCCCCC(CCCC)C(CC)(CC)C1CCNCC1
InChIInChI=1S/C24H49N/c1-5-9-11-12-13-14-15-17-22(16-10-6-2)24(7-3,8-4)23-18-20-25-21-19-23/h22-23,25H,5-21H2,1-4H3
InChIKeySBJAYDVKCLRVSP-UHFFFAOYSA-N
XLogP7.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.66
LogP ≤ 57.74
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

4-(8-methylpentadecan-8-yl)piperidine
CID 167069655
(2-butyl-1,1-difluorooctyl)cyclopropane
CID 170133403
1-piperidin-4-ylundecan-1-ol
CID 80560155
4-(1-fluoroundecyl)piperidine
CID 112563659
4-hexadecylpiperidine
CID 54096875
4-heptan-2-ylpiperidine
CID 143122379
8-cyclopropyl-9-octylnonadecan-8-amine
CID 118341467
4-heptylpiperidine;methane
CID 144690559
4-(3-tert-butyl-2-methylundecan-2-yl)oxypiperidine
CID 152672713
N-methyl-N-(piperidin-4-ylmethyl)heptan-2-amine
CID 80558048
4-octan-4-ylpiperidine
CID 143122305
1-piperidin-4-ylpentan-1-ol
CID 19599407

Frequently Asked Questions

What is the IUPAC name of 4-(4-butyl-3-ethyltridecan-3-yl)piperidine?
The IUPAC name of 4-(4-butyl-3-ethyltridecan-3-yl)piperidine (CID 123229477) is 4-(4-butyl-3-ethyltridecan-3-yl)piperidine.
What is the SMILES notation for 4-(4-butyl-3-ethyltridecan-3-yl)piperidine?
The canonical SMILES for 4-(4-butyl-3-ethyltridecan-3-yl)piperidine is CCCCCCCCCC(CCCC)C(CC)(CC)C1CCNCC1.
What is the InChIKey of 4-(4-butyl-3-ethyltridecan-3-yl)piperidine?
The InChIKey is SBJAYDVKCLRVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49N/c1-5-9-11-12-13-14-15-17-22(16-10-6-2)24(7-3,8-4)23-18-20-25-21-19-23/h22-23,25H,5-21H2,1-4H3.
What are the key properties of 4-(4-butyl-3-ethyltridecan-3-yl)piperidine?
4-(4-butyl-3-ethyltridecan-3-yl)piperidine has a molecular weight of 351.66 g/mol, XLogP of 7.74, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butyl-3-ethyltridecan-3-yl)piperidine is sourced from PubChem (CID 123229477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).