4-[(3-tert-butylphenyl)methoxymethyl]-4-phenylpiperidine

C23H31NO — CID 10499624

IUPAC4-[(3-tert-butylphenyl)methoxymethyl]-4-phenylpiperidine
SMILESCC(C)(C)c1cccc(COCC2(c3ccccc3)CCNCC2)c1
InChIInChI=1S/C23H31NO/c1-22(2,3)21-11-7-8-19(16-21)17-25-18-23(12-14-24-15-13-23)20-9-5-4-6-10-20/h4-11,16,24H,12-15,17-18H2,1-3H3
InChIKeyPBPFNJZSYGEZNI-UHFFFAOYSA-N
MW337.51 g/mol
LogP4.82
Rot. Bonds5

About 4-[(3-tert-butylphenyl)methoxymethyl]-4-phenylpiperidine

4-[(3-tert-butylphenyl)methoxymethyl]-4-phenylpiperidine (PubChem CID 10499624) has the molecular formula C23H31NO and a molecular weight of 337.51 g/mol. Its IUPAC name is 4-[(3-tert-butylphenyl)methoxymethyl]-4-phenylpiperidine.

Molecular Properties

Compound Name4-[(3-tert-butylphenyl)methoxymethyl]-4-phenylpiperidine
PubChem CID10499624
Molecular FormulaC23H31NO
Molecular Weight337.51 g/mol
Exact Mass337.24
IUPAC Name4-[(3-tert-butylphenyl)methoxymethyl]-4-phenylpiperidine
SMILESCC(C)(C)c1cccc(COCC2(c3ccccc3)CCNCC2)c1
InChIInChI=1S/C23H31NO/c1-22(2,3)21-11-7-8-19(16-21)17-25-18-23(12-14-24-15-13-23)20-9-5-4-6-10-20/h4-11,16,24H,12-15,17-18H2,1-3H3
InChIKeyPBPFNJZSYGEZNI-UHFFFAOYSA-N
XLogP4.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-tert-butylphenyl)methoxymethyl]-4-phenylpiperidine?
The IUPAC name of 4-[(3-tert-butylphenyl)methoxymethyl]-4-phenylpiperidine (CID 10499624) is 4-[(3-tert-butylphenyl)methoxymethyl]-4-phenylpiperidine.
What is the SMILES notation for 4-[(3-tert-butylphenyl)methoxymethyl]-4-phenylpiperidine?
The canonical SMILES for 4-[(3-tert-butylphenyl)methoxymethyl]-4-phenylpiperidine is CC(C)(C)c1cccc(COCC2(c3ccccc3)CCNCC2)c1.
What is the InChIKey of 4-[(3-tert-butylphenyl)methoxymethyl]-4-phenylpiperidine?
The InChIKey is PBPFNJZSYGEZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO/c1-22(2,3)21-11-7-8-19(16-21)17-25-18-23(12-14-24-15-13-23)20-9-5-4-6-10-20/h4-11,16,24H,12-15,17-18H2,1-3H3.
What are the key properties of 4-[(3-tert-butylphenyl)methoxymethyl]-4-phenylpiperidine?
4-[(3-tert-butylphenyl)methoxymethyl]-4-phenylpiperidine has a molecular weight of 337.51 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-tert-butylphenyl)methoxymethyl]-4-phenylpiperidine is sourced from PubChem (CID 10499624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).