N-[(2-methylphenyl)methyl]-4-(piperidin-1-ylmethyl)aniline

C20H26N2 — CID 83960875

IUPACN-[(2-methylphenyl)methyl]-4-(piperidin-1-ylmethyl)aniline
SMILESCc1ccccc1CNc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C20H26N2/c1-17-7-3-4-8-19(17)15-21-20-11-9-18(10-12-20)16-22-13-5-2-6-14-22/h3-4,7-12,21H,2,5-6,13-16H2,1H3
InChIKeyFEMSARPBXNJFHY-UHFFFAOYSA-N
MW294.44 g/mol
LogP4.59
Rot. Bonds5

About N-[(2-methylphenyl)methyl]-4-(piperidin-1-ylmethyl)aniline

N-[(2-methylphenyl)methyl]-4-(piperidin-1-ylmethyl)aniline (PubChem CID 83960875) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-4-(piperidin-1-ylmethyl)aniline.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-4-(piperidin-1-ylmethyl)aniline
PubChem CID83960875
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC NameN-[(2-methylphenyl)methyl]-4-(piperidin-1-ylmethyl)aniline
SMILESCc1ccccc1CNc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C20H26N2/c1-17-7-3-4-8-19(17)15-21-20-11-9-18(10-12-20)16-22-13-5-2-6-14-22/h3-4,7-12,21H,2,5-6,13-16H2,1H3
InChIKeyFEMSARPBXNJFHY-UHFFFAOYSA-N
XLogP4.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[(2-methoxyphenyl)methyl]-4-(morpholin-4-ylmethyl)aniline
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1-[(4-methylphenyl)methyl]azepane
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N-[(1-methylpyrazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)aniline
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1-benzylazepane
CID 10954328
1-[(2-methylphenyl)methyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-4-(piperidin-1-ylmethyl)aniline?
The IUPAC name of N-[(2-methylphenyl)methyl]-4-(piperidin-1-ylmethyl)aniline (CID 83960875) is N-[(2-methylphenyl)methyl]-4-(piperidin-1-ylmethyl)aniline.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-4-(piperidin-1-ylmethyl)aniline?
The canonical SMILES for N-[(2-methylphenyl)methyl]-4-(piperidin-1-ylmethyl)aniline is Cc1ccccc1CNc1ccc(CN2CCCCC2)cc1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-4-(piperidin-1-ylmethyl)aniline?
The InChIKey is FEMSARPBXNJFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2/c1-17-7-3-4-8-19(17)15-21-20-11-9-18(10-12-20)16-22-13-5-2-6-14-22/h3-4,7-12,21H,2,5-6,13-16H2,1H3.
What are the key properties of N-[(2-methylphenyl)methyl]-4-(piperidin-1-ylmethyl)aniline?
N-[(2-methylphenyl)methyl]-4-(piperidin-1-ylmethyl)aniline has a molecular weight of 294.44 g/mol, XLogP of 4.59, 5 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-(piperidin-1-ylmethyl)aniline is sourced from PubChem (CID 83960875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).