4-(3-tert-butyl-2-methylundecan-2-yl)oxypiperidine

C21H43NO — CID 152672713

IUPAC4-(3-tert-butyl-2-methylundecan-2-yl)oxypiperidine
SMILESCCCCCCCCC(C(C)(C)C)C(C)(C)OC1CCNCC1
InChIInChI=1S/C21H43NO/c1-7-8-9-10-11-12-13-19(20(2,3)4)21(5,6)23-18-14-16-22-17-15-18/h18-19,22H,7-17H2,1-6H3
InChIKeyZLWNQQRXLBWJDV-UHFFFAOYSA-N
MW325.58 g/mol
LogP5.95
Rot. Bonds10

About 4-(3-tert-butyl-2-methylundecan-2-yl)oxypiperidine

4-(3-tert-butyl-2-methylundecan-2-yl)oxypiperidine (PubChem CID 152672713) has the molecular formula C21H43NO and a molecular weight of 325.58 g/mol. Its IUPAC name is 4-(3-tert-butyl-2-methylundecan-2-yl)oxypiperidine.

Molecular Properties

Compound Name4-(3-tert-butyl-2-methylundecan-2-yl)oxypiperidine
PubChem CID152672713
Molecular FormulaC21H43NO
Molecular Weight325.58 g/mol
Exact Mass325.33
IUPAC Name4-(3-tert-butyl-2-methylundecan-2-yl)oxypiperidine
SMILESCCCCCCCCC(C(C)(C)C)C(C)(C)OC1CCNCC1
InChIInChI=1S/C21H43NO/c1-7-8-9-10-11-12-13-19(20(2,3)4)21(5,6)23-18-14-16-22-17-15-18/h18-19,22H,7-17H2,1-6H3
InChIKeyZLWNQQRXLBWJDV-UHFFFAOYSA-N
XLogP5.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.58
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(3-tert-butyl-2-methylundecan-2-yl)oxypiperidine?
The IUPAC name of 4-(3-tert-butyl-2-methylundecan-2-yl)oxypiperidine (CID 152672713) is 4-(3-tert-butyl-2-methylundecan-2-yl)oxypiperidine.
What is the SMILES notation for 4-(3-tert-butyl-2-methylundecan-2-yl)oxypiperidine?
The canonical SMILES for 4-(3-tert-butyl-2-methylundecan-2-yl)oxypiperidine is CCCCCCCCC(C(C)(C)C)C(C)(C)OC1CCNCC1.
What is the InChIKey of 4-(3-tert-butyl-2-methylundecan-2-yl)oxypiperidine?
The InChIKey is ZLWNQQRXLBWJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43NO/c1-7-8-9-10-11-12-13-19(20(2,3)4)21(5,6)23-18-14-16-22-17-15-18/h18-19,22H,7-17H2,1-6H3.
What are the key properties of 4-(3-tert-butyl-2-methylundecan-2-yl)oxypiperidine?
4-(3-tert-butyl-2-methylundecan-2-yl)oxypiperidine has a molecular weight of 325.58 g/mol, XLogP of 5.95, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-tert-butyl-2-methylundecan-2-yl)oxypiperidine is sourced from PubChem (CID 152672713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).