4-tert-butyl-1-tetradecan-7-ylpiperidine

C23H47N — CID 134458253

IUPAC4-tert-butyl-1-tetradecan-7-ylpiperidine
SMILESCCCCCCCC(CCCCCC)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C23H47N/c1-6-8-10-12-14-16-22(15-13-11-9-7-2)24-19-17-21(18-20-24)23(3,4)5/h21-22H,6-20H2,1-5H3
InChIKeyBJXVUFZLUIYSOR-UHFFFAOYSA-N
MW337.64 g/mol
LogP7.44
Rot. Bonds12

About 4-tert-butyl-1-tetradecan-7-ylpiperidine

4-tert-butyl-1-tetradecan-7-ylpiperidine (PubChem CID 134458253) has the molecular formula C23H47N and a molecular weight of 337.64 g/mol. Its IUPAC name is 4-tert-butyl-1-tetradecan-7-ylpiperidine.

Molecular Properties

Compound Name4-tert-butyl-1-tetradecan-7-ylpiperidine
PubChem CID134458253
Molecular FormulaC23H47N
Molecular Weight337.64 g/mol
Exact Mass337.37
IUPAC Name4-tert-butyl-1-tetradecan-7-ylpiperidine
SMILESCCCCCCCC(CCCCCC)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C23H47N/c1-6-8-10-12-14-16-22(15-13-11-9-7-2)24-19-17-21(18-20-24)23(3,4)5/h21-22H,6-20H2,1-5H3
InChIKeyBJXVUFZLUIYSOR-UHFFFAOYSA-N
XLogP7.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.64
LogP ≤ 57.44
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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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-tetradecan-7-ylpiperidine?
The IUPAC name of 4-tert-butyl-1-tetradecan-7-ylpiperidine (CID 134458253) is 4-tert-butyl-1-tetradecan-7-ylpiperidine.
What is the SMILES notation for 4-tert-butyl-1-tetradecan-7-ylpiperidine?
The canonical SMILES for 4-tert-butyl-1-tetradecan-7-ylpiperidine is CCCCCCCC(CCCCCC)N1CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-1-tetradecan-7-ylpiperidine?
The InChIKey is BJXVUFZLUIYSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H47N/c1-6-8-10-12-14-16-22(15-13-11-9-7-2)24-19-17-21(18-20-24)23(3,4)5/h21-22H,6-20H2,1-5H3.
What are the key properties of 4-tert-butyl-1-tetradecan-7-ylpiperidine?
4-tert-butyl-1-tetradecan-7-ylpiperidine has a molecular weight of 337.64 g/mol, XLogP of 7.44, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-tetradecan-7-ylpiperidine is sourced from PubChem (CID 134458253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).