1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]-4-methylpiperidine

C24H30Cl2N2 — CID 167246756

IUPAC1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]-4-methylpiperidine
SMILESCc1cc(C2CN(c3c(Cl)cccc3Cl)C2)cc(C)c1CN1CCC(C)CC1
InChIInChI=1S/C24H30Cl2N2/c1-16-7-9-27(10-8-16)15-21-17(2)11-19(12-18(21)3)20-13-28(14-20)24-22(25)5-4-6-23(24)26/h4-6,11-12,16,20H,7-10,13-15H2,1-3H3
InChIKeyPESBJISXXBXZKZ-UHFFFAOYSA-N
MW417.42 g/mol
LogP6.45
Rot. Bonds4

About 1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]-4-methylpiperidine

1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]-4-methylpiperidine (PubChem CID 167246756) has the molecular formula C24H30Cl2N2 and a molecular weight of 417.42 g/mol. Its IUPAC name is 1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]-4-methylpiperidine
PubChem CID167246756
Molecular FormulaC24H30Cl2N2
Molecular Weight417.42 g/mol
Exact Mass416.18
IUPAC Name1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]-4-methylpiperidine
SMILESCc1cc(C2CN(c3c(Cl)cccc3Cl)C2)cc(C)c1CN1CCC(C)CC1
InChIInChI=1S/C24H30Cl2N2/c1-16-7-9-27(10-8-16)15-21-17(2)11-19(12-18(21)3)20-13-28(14-20)24-22(25)5-4-6-23(24)26/h4-6,11-12,16,20H,7-10,13-15H2,1-3H3
InChIKeyPESBJISXXBXZKZ-UHFFFAOYSA-N
XLogP6.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.42
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]-4-methylpiperidine?
The IUPAC name of 1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]-4-methylpiperidine (CID 167246756) is 1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]-4-methylpiperidine.
What is the SMILES notation for 1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]-4-methylpiperidine?
The canonical SMILES for 1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]-4-methylpiperidine is Cc1cc(C2CN(c3c(Cl)cccc3Cl)C2)cc(C)c1CN1CCC(C)CC1.
What is the InChIKey of 1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]-4-methylpiperidine?
The InChIKey is PESBJISXXBXZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30Cl2N2/c1-16-7-9-27(10-8-16)15-21-17(2)11-19(12-18(21)3)20-13-28(14-20)24-22(25)5-4-6-23(24)26/h4-6,11-12,16,20H,7-10,13-15H2,1-3H3.
What are the key properties of 1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]-4-methylpiperidine?
1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]-4-methylpiperidine has a molecular weight of 417.42 g/mol, XLogP of 6.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]-4-methylpiperidine is sourced from PubChem (CID 167246756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).