1,2,2,6,6-pentamethyl-4-[4-(4-methylphenyl)phenoxy]piperidine

C23H31NO — CID 130231092

IUPAC1,2,2,6,6-pentamethyl-4-[4-(4-methylphenyl)phenoxy]piperidine
SMILESCc1ccc(-c2ccc(OC3CC(C)(C)N(C)C(C)(C)C3)cc2)cc1
InChIInChI=1S/C23H31NO/c1-17-7-9-18(10-8-17)19-11-13-20(14-12-19)25-21-15-22(2,3)24(6)23(4,5)16-21/h7-14,21H,15-16H2,1-6H3
InChIKeyKGHCEWAHJSCBJY-UHFFFAOYSA-N
MW337.51 g/mol
LogP5.69
Rot. Bonds3

About 1,2,2,6,6-pentamethyl-4-[4-(4-methylphenyl)phenoxy]piperidine

1,2,2,6,6-pentamethyl-4-[4-(4-methylphenyl)phenoxy]piperidine (PubChem CID 130231092) has the molecular formula C23H31NO and a molecular weight of 337.51 g/mol. Its IUPAC name is 1,2,2,6,6-pentamethyl-4-[4-(4-methylphenyl)phenoxy]piperidine.

Molecular Properties

Compound Name1,2,2,6,6-pentamethyl-4-[4-(4-methylphenyl)phenoxy]piperidine
PubChem CID130231092
Molecular FormulaC23H31NO
Molecular Weight337.51 g/mol
Exact Mass337.24
IUPAC Name1,2,2,6,6-pentamethyl-4-[4-(4-methylphenyl)phenoxy]piperidine
SMILESCc1ccc(-c2ccc(OC3CC(C)(C)N(C)C(C)(C)C3)cc2)cc1
InChIInChI=1S/C23H31NO/c1-17-7-9-18(10-8-17)19-11-13-20(14-12-19)25-21-15-22(2,3)24(6)23(4,5)16-21/h7-14,21H,15-16H2,1-6H3
InChIKeyKGHCEWAHJSCBJY-UHFFFAOYSA-N
XLogP5.69
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.51
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,2,6,6-pentamethyl-4-[4-(4-methylphenyl)phenoxy]piperidine?
The IUPAC name of 1,2,2,6,6-pentamethyl-4-[4-(4-methylphenyl)phenoxy]piperidine (CID 130231092) is 1,2,2,6,6-pentamethyl-4-[4-(4-methylphenyl)phenoxy]piperidine.
What is the SMILES notation for 1,2,2,6,6-pentamethyl-4-[4-(4-methylphenyl)phenoxy]piperidine?
The canonical SMILES for 1,2,2,6,6-pentamethyl-4-[4-(4-methylphenyl)phenoxy]piperidine is Cc1ccc(-c2ccc(OC3CC(C)(C)N(C)C(C)(C)C3)cc2)cc1.
What is the InChIKey of 1,2,2,6,6-pentamethyl-4-[4-(4-methylphenyl)phenoxy]piperidine?
The InChIKey is KGHCEWAHJSCBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO/c1-17-7-9-18(10-8-17)19-11-13-20(14-12-19)25-21-15-22(2,3)24(6)23(4,5)16-21/h7-14,21H,15-16H2,1-6H3.
What are the key properties of 1,2,2,6,6-pentamethyl-4-[4-(4-methylphenyl)phenoxy]piperidine?
1,2,2,6,6-pentamethyl-4-[4-(4-methylphenyl)phenoxy]piperidine has a molecular weight of 337.51 g/mol, XLogP of 5.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,6,6-pentamethyl-4-[4-(4-methylphenyl)phenoxy]piperidine is sourced from PubChem (CID 130231092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).