N-[(2-methylphenyl)methyl]-4-(4-methylpiperidin-1-yl)aniline

C20H26N2 — CID 83949753

IUPACN-[(2-methylphenyl)methyl]-4-(4-methylpiperidin-1-yl)aniline
SMILESCc1ccccc1CNc1ccc(N2CCC(C)CC2)cc1
InChIInChI=1S/C20H26N2/c1-16-11-13-22(14-12-16)20-9-7-19(8-10-20)21-15-18-6-4-3-5-17(18)2/h3-10,16,21H,11-15H2,1-2H3
InChIKeyJYWKRENRDFSNQR-UHFFFAOYSA-N
MW294.44 g/mol
LogP4.84
Rot. Bonds4

About N-[(2-methylphenyl)methyl]-4-(4-methylpiperidin-1-yl)aniline

N-[(2-methylphenyl)methyl]-4-(4-methylpiperidin-1-yl)aniline (PubChem CID 83949753) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-4-(4-methylpiperidin-1-yl)aniline.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-4-(4-methylpiperidin-1-yl)aniline
PubChem CID83949753
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC NameN-[(2-methylphenyl)methyl]-4-(4-methylpiperidin-1-yl)aniline
SMILESCc1ccccc1CNc1ccc(N2CCC(C)CC2)cc1
InChIInChI=1S/C20H26N2/c1-16-11-13-22(14-12-16)20-9-7-19(8-10-20)21-15-18-6-4-3-5-17(18)2/h3-10,16,21H,11-15H2,1-2H3
InChIKeyJYWKRENRDFSNQR-UHFFFAOYSA-N
XLogP4.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-N,4-N-bis[(2-methylphenyl)methyl]benzene-1,4-diamine
CID 102345817
N-(2-methylphenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]acetamide
CID 109007147
N-(furan-2-ylmethyl)-4-(4-methylpiperidin-1-yl)aniline
CID 83949682
N-[(2-methylphenyl)methyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112885068
5,8-dimethyl-3-[[4-(4-methylpiperidin-1-yl)anilino]methyl]-1H-quinolin-2-one
CID 46950102
N-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-4-(4-methylpiperidin-1-yl)aniline
CID 110653399
2-(2-ethylanilino)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 109007619
N-(cyclohexylmethyl)-4-(4-methylpiperidin-1-yl)aniline
CID 83949888
N-[(2-methylphenyl)methyl]-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide
CID 50828059
2,3-dimethyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 60600795
N-[(2-methylphenyl)methyl]-4-(2-methylpiperidin-1-yl)sulfonylaniline
CID 110827326
ethane;4-methyl-1-phenylpiperidine
CID 143180672

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-4-(4-methylpiperidin-1-yl)aniline?
The IUPAC name of N-[(2-methylphenyl)methyl]-4-(4-methylpiperidin-1-yl)aniline (CID 83949753) is N-[(2-methylphenyl)methyl]-4-(4-methylpiperidin-1-yl)aniline.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-4-(4-methylpiperidin-1-yl)aniline?
The canonical SMILES for N-[(2-methylphenyl)methyl]-4-(4-methylpiperidin-1-yl)aniline is Cc1ccccc1CNc1ccc(N2CCC(C)CC2)cc1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-4-(4-methylpiperidin-1-yl)aniline?
The InChIKey is JYWKRENRDFSNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2/c1-16-11-13-22(14-12-16)20-9-7-19(8-10-20)21-15-18-6-4-3-5-17(18)2/h3-10,16,21H,11-15H2,1-2H3.
What are the key properties of N-[(2-methylphenyl)methyl]-4-(4-methylpiperidin-1-yl)aniline?
N-[(2-methylphenyl)methyl]-4-(4-methylpiperidin-1-yl)aniline has a molecular weight of 294.44 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-4-(4-methylpiperidin-1-yl)aniline is sourced from PubChem (CID 83949753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).