2-[(4-methoxyphenyl)methyl]-2-(2-methylpropyl)piperidine

C17H27NO — CID 115059003

IUPAC2-[(4-methoxyphenyl)methyl]-2-(2-methylpropyl)piperidine
SMILESCOc1ccc(CC2(CC(C)C)CCCCN2)cc1
InChIInChI=1S/C17H27NO/c1-14(2)12-17(10-4-5-11-18-17)13-15-6-8-16(19-3)9-7-15/h6-9,14,18H,4-5,10-13H2,1-3H3
InChIKeyVCIUTAISIXWVAB-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.80
Rot. Bonds5

About 2-[(4-methoxyphenyl)methyl]-2-(2-methylpropyl)piperidine

2-[(4-methoxyphenyl)methyl]-2-(2-methylpropyl)piperidine (PubChem CID 115059003) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-2-(2-methylpropyl)piperidine.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-2-(2-methylpropyl)piperidine
PubChem CID115059003
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-[(4-methoxyphenyl)methyl]-2-(2-methylpropyl)piperidine
SMILESCOc1ccc(CC2(CC(C)C)CCCCN2)cc1
InChIInChI=1S/C17H27NO/c1-14(2)12-17(10-4-5-11-18-17)13-15-6-8-16(19-3)9-7-15/h6-9,14,18H,4-5,10-13H2,1-3H3
InChIKeyVCIUTAISIXWVAB-UHFFFAOYSA-N
XLogP3.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(methoxymethyl)-2-[(4-methoxyphenyl)methyl]pyrrolidine
CID 117271916
2-[(3-methoxyphenyl)methyl]-2-(2-methylpropyl)azetidine
CID 115058809
2-[(3,4-difluorophenyl)methyl]-2-(2-methylpropyl)pyrrolidine
CID 82922545
2-[(3-bromo-4-methylphenyl)methyl]-2-(2-methylpropyl)pyrrolidine
CID 105411975
1-[4-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]phenyl]pyrazole
CID 104688365
2-(methoxymethyl)-2-[(4-methylphenyl)methyl]piperidine
CID 117272056
6-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]quinoline
CID 104688379
2-[(3-fluorophenyl)methyl]-2-(2-methylpropyl)pyrrolidine
CID 66467441
2-ethyl-2-[(4-methylphenyl)methyl]piperidine
CID 115058967
2-[(4-methylphenyl)methyl]-2-propylpiperidine
CID 115058989
2-[(4-tert-butylphenyl)methyl]-2-propylazepane
CID 79119066
2-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2-(2-methylpropyl)pyrrolidine
CID 104688427

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-2-(2-methylpropyl)piperidine?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-2-(2-methylpropyl)piperidine (CID 115059003) is 2-[(4-methoxyphenyl)methyl]-2-(2-methylpropyl)piperidine.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-2-(2-methylpropyl)piperidine?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-2-(2-methylpropyl)piperidine is COc1ccc(CC2(CC(C)C)CCCCN2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-2-(2-methylpropyl)piperidine?
The InChIKey is VCIUTAISIXWVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-14(2)12-17(10-4-5-11-18-17)13-15-6-8-16(19-3)9-7-15/h6-9,14,18H,4-5,10-13H2,1-3H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]-2-(2-methylpropyl)piperidine?
2-[(4-methoxyphenyl)methyl]-2-(2-methylpropyl)piperidine has a molecular weight of 261.41 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-2-(2-methylpropyl)piperidine is sourced from PubChem (CID 115059003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).