2-chloro-6-methyl-N-[1-[4-(4-methylphenyl)piperidin-1-yl]ethenyl]aniline

C21H25ClN2 — CID 89219561

IUPAC2-chloro-6-methyl-N-[1-[4-(4-methylphenyl)piperidin-1-yl]ethenyl]aniline
SMILESC=C(Nc1c(C)cccc1Cl)N1CCC(c2ccc(C)cc2)CC1
InChIInChI=1S/C21H25ClN2/c1-15-7-9-18(10-8-15)19-11-13-24(14-12-19)17(3)23-21-16(2)5-4-6-20(21)22/h4-10,19,23H,3,11-14H2,1-2H3
InChIKeyRMWIHJVHSATPPV-UHFFFAOYSA-N
MW340.90 g/mol
LogP5.72
Rot. Bonds4

About 2-chloro-6-methyl-N-[1-[4-(4-methylphenyl)piperidin-1-yl]ethenyl]aniline

2-chloro-6-methyl-N-[1-[4-(4-methylphenyl)piperidin-1-yl]ethenyl]aniline (PubChem CID 89219561) has the molecular formula C21H25ClN2 and a molecular weight of 340.90 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-[1-[4-(4-methylphenyl)piperidin-1-yl]ethenyl]aniline.

Molecular Properties

Compound Name2-chloro-6-methyl-N-[1-[4-(4-methylphenyl)piperidin-1-yl]ethenyl]aniline
PubChem CID89219561
Molecular FormulaC21H25ClN2
Molecular Weight340.90 g/mol
Exact Mass340.17
IUPAC Name2-chloro-6-methyl-N-[1-[4-(4-methylphenyl)piperidin-1-yl]ethenyl]aniline
SMILESC=C(Nc1c(C)cccc1Cl)N1CCC(c2ccc(C)cc2)CC1
InChIInChI=1S/C21H25ClN2/c1-15-7-9-18(10-8-15)19-11-13-24(14-12-19)17(3)23-21-16(2)5-4-6-20(21)22/h4-10,19,23H,3,11-14H2,1-2H3
InChIKeyRMWIHJVHSATPPV-UHFFFAOYSA-N
XLogP5.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.90
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-[1-[4-(4-methylphenyl)piperidin-1-yl]ethenyl]aniline?
The IUPAC name of 2-chloro-6-methyl-N-[1-[4-(4-methylphenyl)piperidin-1-yl]ethenyl]aniline (CID 89219561) is 2-chloro-6-methyl-N-[1-[4-(4-methylphenyl)piperidin-1-yl]ethenyl]aniline.
What is the SMILES notation for 2-chloro-6-methyl-N-[1-[4-(4-methylphenyl)piperidin-1-yl]ethenyl]aniline?
The canonical SMILES for 2-chloro-6-methyl-N-[1-[4-(4-methylphenyl)piperidin-1-yl]ethenyl]aniline is C=C(Nc1c(C)cccc1Cl)N1CCC(c2ccc(C)cc2)CC1.
What is the InChIKey of 2-chloro-6-methyl-N-[1-[4-(4-methylphenyl)piperidin-1-yl]ethenyl]aniline?
The InChIKey is RMWIHJVHSATPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2/c1-15-7-9-18(10-8-15)19-11-13-24(14-12-19)17(3)23-21-16(2)5-4-6-20(21)22/h4-10,19,23H,3,11-14H2,1-2H3.
What are the key properties of 2-chloro-6-methyl-N-[1-[4-(4-methylphenyl)piperidin-1-yl]ethenyl]aniline?
2-chloro-6-methyl-N-[1-[4-(4-methylphenyl)piperidin-1-yl]ethenyl]aniline has a molecular weight of 340.90 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-N-[1-[4-(4-methylphenyl)piperidin-1-yl]ethenyl]aniline is sourced from PubChem (CID 89219561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).