N-[(2-methoxyphenyl)methyl]-4-piperidin-1-ylaniline

C19H24N2O — CID 892164

IUPACN-[(2-methoxyphenyl)methyl]-4-piperidin-1-ylaniline
SMILESCOc1ccccc1CNc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C19H24N2O/c1-22-19-8-4-3-7-16(19)15-20-17-9-11-18(12-10-17)21-13-5-2-6-14-21/h3-4,7-12,20H,2,5-6,13-15H2,1H3
InChIKeyRVXBQNAIAHECGJ-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.30
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-4-piperidin-1-ylaniline

N-[(2-methoxyphenyl)methyl]-4-piperidin-1-ylaniline (PubChem CID 892164) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-4-piperidin-1-ylaniline.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-4-piperidin-1-ylaniline
PubChem CID892164
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC NameN-[(2-methoxyphenyl)methyl]-4-piperidin-1-ylaniline
SMILESCOc1ccccc1CNc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C19H24N2O/c1-22-19-8-4-3-7-16(19)15-20-17-9-11-18(12-10-17)21-13-5-2-6-14-21/h3-4,7-12,20H,2,5-6,13-15H2,1H3
InChIKeyRVXBQNAIAHECGJ-UHFFFAOYSA-N
XLogP4.30
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-4-piperidin-1-ylaniline?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-4-piperidin-1-ylaniline (CID 892164) is N-[(2-methoxyphenyl)methyl]-4-piperidin-1-ylaniline.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-4-piperidin-1-ylaniline?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-4-piperidin-1-ylaniline is COc1ccccc1CNc1ccc(N2CCCCC2)cc1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-4-piperidin-1-ylaniline?
The InChIKey is RVXBQNAIAHECGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-22-19-8-4-3-7-16(19)15-20-17-9-11-18(12-10-17)21-13-5-2-6-14-21/h3-4,7-12,20H,2,5-6,13-15H2,1H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-4-piperidin-1-ylaniline?
N-[(2-methoxyphenyl)methyl]-4-piperidin-1-ylaniline has a molecular weight of 296.41 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-4-piperidin-1-ylaniline is sourced from PubChem (CID 892164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).