4-[(3-tert-butyl-5-methylphenyl)methoxymethyl]-4-phenylpiperidine

C24H33NO — CID 10834119

IUPAC4-[(3-tert-butyl-5-methylphenyl)methoxymethyl]-4-phenylpiperidine
SMILESCc1cc(COCC2(c3ccccc3)CCNCC2)cc(C(C)(C)C)c1
InChIInChI=1S/C24H33NO/c1-19-14-20(16-22(15-19)23(2,3)4)17-26-18-24(10-12-25-13-11-24)21-8-6-5-7-9-21/h5-9,14-16,25H,10-13,17-18H2,1-4H3
InChIKeyKYVTYFDDJINHPF-UHFFFAOYSA-N
MW351.53 g/mol
LogP5.13
Rot. Bonds5

About 4-[(3-tert-butyl-5-methylphenyl)methoxymethyl]-4-phenylpiperidine

4-[(3-tert-butyl-5-methylphenyl)methoxymethyl]-4-phenylpiperidine (PubChem CID 10834119) has the molecular formula C24H33NO and a molecular weight of 351.53 g/mol. Its IUPAC name is 4-[(3-tert-butyl-5-methylphenyl)methoxymethyl]-4-phenylpiperidine.

Molecular Properties

Compound Name4-[(3-tert-butyl-5-methylphenyl)methoxymethyl]-4-phenylpiperidine
PubChem CID10834119
Molecular FormulaC24H33NO
Molecular Weight351.53 g/mol
Exact Mass351.26
IUPAC Name4-[(3-tert-butyl-5-methylphenyl)methoxymethyl]-4-phenylpiperidine
SMILESCc1cc(COCC2(c3ccccc3)CCNCC2)cc(C(C)(C)C)c1
InChIInChI=1S/C24H33NO/c1-19-14-20(16-22(15-19)23(2,3)4)17-26-18-24(10-12-25-13-11-24)21-8-6-5-7-9-21/h5-9,14-16,25H,10-13,17-18H2,1-4H3
InChIKeyKYVTYFDDJINHPF-UHFFFAOYSA-N
XLogP5.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.53
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-tert-butyl-5-methylphenyl)methoxymethyl]-4-phenylpiperidine?
The IUPAC name of 4-[(3-tert-butyl-5-methylphenyl)methoxymethyl]-4-phenylpiperidine (CID 10834119) is 4-[(3-tert-butyl-5-methylphenyl)methoxymethyl]-4-phenylpiperidine.
What is the SMILES notation for 4-[(3-tert-butyl-5-methylphenyl)methoxymethyl]-4-phenylpiperidine?
The canonical SMILES for 4-[(3-tert-butyl-5-methylphenyl)methoxymethyl]-4-phenylpiperidine is Cc1cc(COCC2(c3ccccc3)CCNCC2)cc(C(C)(C)C)c1.
What is the InChIKey of 4-[(3-tert-butyl-5-methylphenyl)methoxymethyl]-4-phenylpiperidine?
The InChIKey is KYVTYFDDJINHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO/c1-19-14-20(16-22(15-19)23(2,3)4)17-26-18-24(10-12-25-13-11-24)21-8-6-5-7-9-21/h5-9,14-16,25H,10-13,17-18H2,1-4H3.
What are the key properties of 4-[(3-tert-butyl-5-methylphenyl)methoxymethyl]-4-phenylpiperidine?
4-[(3-tert-butyl-5-methylphenyl)methoxymethyl]-4-phenylpiperidine has a molecular weight of 351.53 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-tert-butyl-5-methylphenyl)methoxymethyl]-4-phenylpiperidine is sourced from PubChem (CID 10834119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).