4-[4-[(3,5-dimethyl-4-piperidin-4-yloxyphenyl)methyl]-2,6-dimethylphenoxy]piperidine

C27H38N2O2 — CID 10224086

IUPAC4-[4-[(3,5-dimethyl-4-piperidin-4-yloxyphenyl)methyl]-2,6-dimethylphenoxy]piperidine
SMILESCc1cc(Cc2cc(C)c(OC3CCNCC3)c(C)c2)cc(C)c1OC1CCNCC1
InChIInChI=1S/C27H38N2O2/c1-18-13-22(14-19(2)26(18)30-24-5-9-28-10-6-24)17-23-15-20(3)27(21(4)16-23)31-25-7-11-29-12-8-25/h13-16,24-25,28-29H,5-12,17H2,1-4H3
InChIKeyGMLLDCKIHBWHGM-UHFFFAOYSA-N
MW422.61 g/mol
LogP4.77
Rot. Bonds6

About 4-[4-[(3,5-dimethyl-4-piperidin-4-yloxyphenyl)methyl]-2,6-dimethylphenoxy]piperidine

4-[4-[(3,5-dimethyl-4-piperidin-4-yloxyphenyl)methyl]-2,6-dimethylphenoxy]piperidine (PubChem CID 10224086) has the molecular formula C27H38N2O2 and a molecular weight of 422.61 g/mol. Its IUPAC name is 4-[4-[(3,5-dimethyl-4-piperidin-4-yloxyphenyl)methyl]-2,6-dimethylphenoxy]piperidine.

Molecular Properties

Compound Name4-[4-[(3,5-dimethyl-4-piperidin-4-yloxyphenyl)methyl]-2,6-dimethylphenoxy]piperidine
PubChem CID10224086
Molecular FormulaC27H38N2O2
Molecular Weight422.61 g/mol
Exact Mass422.29
IUPAC Name4-[4-[(3,5-dimethyl-4-piperidin-4-yloxyphenyl)methyl]-2,6-dimethylphenoxy]piperidine
SMILESCc1cc(Cc2cc(C)c(OC3CCNCC3)c(C)c2)cc(C)c1OC1CCNCC1
InChIInChI=1S/C27H38N2O2/c1-18-13-22(14-19(2)26(18)30-24-5-9-28-10-6-24)17-23-15-20(3)27(21(4)16-23)31-25-7-11-29-12-8-25/h13-16,24-25,28-29H,5-12,17H2,1-4H3
InChIKeyGMLLDCKIHBWHGM-UHFFFAOYSA-N
XLogP4.77
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.61
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3,5-dimethyl-4-piperidin-4-yloxyphenyl)methyl]-2,6-dimethylphenoxy]piperidine?
The IUPAC name of 4-[4-[(3,5-dimethyl-4-piperidin-4-yloxyphenyl)methyl]-2,6-dimethylphenoxy]piperidine (CID 10224086) is 4-[4-[(3,5-dimethyl-4-piperidin-4-yloxyphenyl)methyl]-2,6-dimethylphenoxy]piperidine.
What is the SMILES notation for 4-[4-[(3,5-dimethyl-4-piperidin-4-yloxyphenyl)methyl]-2,6-dimethylphenoxy]piperidine?
The canonical SMILES for 4-[4-[(3,5-dimethyl-4-piperidin-4-yloxyphenyl)methyl]-2,6-dimethylphenoxy]piperidine is Cc1cc(Cc2cc(C)c(OC3CCNCC3)c(C)c2)cc(C)c1OC1CCNCC1.
What is the InChIKey of 4-[4-[(3,5-dimethyl-4-piperidin-4-yloxyphenyl)methyl]-2,6-dimethylphenoxy]piperidine?
The InChIKey is GMLLDCKIHBWHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N2O2/c1-18-13-22(14-19(2)26(18)30-24-5-9-28-10-6-24)17-23-15-20(3)27(21(4)16-23)31-25-7-11-29-12-8-25/h13-16,24-25,28-29H,5-12,17H2,1-4H3.
What are the key properties of 4-[4-[(3,5-dimethyl-4-piperidin-4-yloxyphenyl)methyl]-2,6-dimethylphenoxy]piperidine?
4-[4-[(3,5-dimethyl-4-piperidin-4-yloxyphenyl)methyl]-2,6-dimethylphenoxy]piperidine has a molecular weight of 422.61 g/mol, XLogP of 4.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3,5-dimethyl-4-piperidin-4-yloxyphenyl)methyl]-2,6-dimethylphenoxy]piperidine is sourced from PubChem (CID 10224086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).