2-methyl-3-[(4-methylphenoxy)methyl]-1-[[1-(4-methylphenyl)cyclobutyl]methyl]piperidine

C26H35NO — CID 70310740

IUPAC2-methyl-3-[(4-methylphenoxy)methyl]-1-[[1-(4-methylphenyl)cyclobutyl]methyl]piperidine
SMILESCc1ccc(OCC2CCCN(CC3(c4ccc(C)cc4)CCC3)C2C)cc1
InChIInChI=1S/C26H35NO/c1-20-7-11-24(12-8-20)26(15-5-16-26)19-27-17-4-6-23(22(27)3)18-28-25-13-9-21(2)10-14-25/h7-14,22-23H,4-6,15-19H2,1-3H3
InChIKeyKENKGYWEOLEXRU-UHFFFAOYSA-N
MW377.57 g/mol
LogP5.90
Rot. Bonds6

About 2-methyl-3-[(4-methylphenoxy)methyl]-1-[[1-(4-methylphenyl)cyclobutyl]methyl]piperidine

2-methyl-3-[(4-methylphenoxy)methyl]-1-[[1-(4-methylphenyl)cyclobutyl]methyl]piperidine (PubChem CID 70310740) has the molecular formula C26H35NO and a molecular weight of 377.57 g/mol. Its IUPAC name is 2-methyl-3-[(4-methylphenoxy)methyl]-1-[[1-(4-methylphenyl)cyclobutyl]methyl]piperidine.

Molecular Properties

Compound Name2-methyl-3-[(4-methylphenoxy)methyl]-1-[[1-(4-methylphenyl)cyclobutyl]methyl]piperidine
PubChem CID70310740
Molecular FormulaC26H35NO
Molecular Weight377.57 g/mol
Exact Mass377.27
IUPAC Name2-methyl-3-[(4-methylphenoxy)methyl]-1-[[1-(4-methylphenyl)cyclobutyl]methyl]piperidine
SMILESCc1ccc(OCC2CCCN(CC3(c4ccc(C)cc4)CCC3)C2C)cc1
InChIInChI=1S/C26H35NO/c1-20-7-11-24(12-8-20)26(15-5-16-26)19-27-17-4-6-23(22(27)3)18-28-25-13-9-21(2)10-14-25/h7-14,22-23H,4-6,15-19H2,1-3H3
InChIKeyKENKGYWEOLEXRU-UHFFFAOYSA-N
XLogP5.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.57
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(4-methylphenoxy)methyl]-1-[[1-(4-methylphenyl)cyclobutyl]methyl]piperidine?
The IUPAC name of 2-methyl-3-[(4-methylphenoxy)methyl]-1-[[1-(4-methylphenyl)cyclobutyl]methyl]piperidine (CID 70310740) is 2-methyl-3-[(4-methylphenoxy)methyl]-1-[[1-(4-methylphenyl)cyclobutyl]methyl]piperidine.
What is the SMILES notation for 2-methyl-3-[(4-methylphenoxy)methyl]-1-[[1-(4-methylphenyl)cyclobutyl]methyl]piperidine?
The canonical SMILES for 2-methyl-3-[(4-methylphenoxy)methyl]-1-[[1-(4-methylphenyl)cyclobutyl]methyl]piperidine is Cc1ccc(OCC2CCCN(CC3(c4ccc(C)cc4)CCC3)C2C)cc1.
What is the InChIKey of 2-methyl-3-[(4-methylphenoxy)methyl]-1-[[1-(4-methylphenyl)cyclobutyl]methyl]piperidine?
The InChIKey is KENKGYWEOLEXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35NO/c1-20-7-11-24(12-8-20)26(15-5-16-26)19-27-17-4-6-23(22(27)3)18-28-25-13-9-21(2)10-14-25/h7-14,22-23H,4-6,15-19H2,1-3H3.
What are the key properties of 2-methyl-3-[(4-methylphenoxy)methyl]-1-[[1-(4-methylphenyl)cyclobutyl]methyl]piperidine?
2-methyl-3-[(4-methylphenoxy)methyl]-1-[[1-(4-methylphenyl)cyclobutyl]methyl]piperidine has a molecular weight of 377.57 g/mol, XLogP of 5.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(4-methylphenoxy)methyl]-1-[[1-(4-methylphenyl)cyclobutyl]methyl]piperidine is sourced from PubChem (CID 70310740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).