N-[(1-benzylpiperidin-4-yl)methyl]-2-methoxyaniline

C20H26N2O — CID 154727098

IUPACN-[(1-benzylpiperidin-4-yl)methyl]-2-methoxyaniline
SMILESCOc1ccccc1NCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H26N2O/c1-23-20-10-6-5-9-19(20)21-15-17-11-13-22(14-12-17)16-18-7-3-2-4-8-18/h2-10,17,21H,11-16H2,1H3
InChIKeyKUZVHUCPWIDIGV-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.02
Rot. Bonds6

About N-[(1-benzylpiperidin-4-yl)methyl]-2-methoxyaniline

N-[(1-benzylpiperidin-4-yl)methyl]-2-methoxyaniline (PubChem CID 154727098) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-4-yl)methyl]-2-methoxyaniline.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-4-yl)methyl]-2-methoxyaniline
PubChem CID154727098
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC NameN-[(1-benzylpiperidin-4-yl)methyl]-2-methoxyaniline
SMILESCOc1ccccc1NCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H26N2O/c1-23-20-10-6-5-9-19(20)21-15-17-11-13-22(14-12-17)16-18-7-3-2-4-8-18/h2-10,17,21H,11-16H2,1H3
InChIKeyKUZVHUCPWIDIGV-UHFFFAOYSA-N
XLogP4.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-2-methoxyaniline?
The IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-2-methoxyaniline (CID 154727098) is N-[(1-benzylpiperidin-4-yl)methyl]-2-methoxyaniline.
What is the SMILES notation for N-[(1-benzylpiperidin-4-yl)methyl]-2-methoxyaniline?
The canonical SMILES for N-[(1-benzylpiperidin-4-yl)methyl]-2-methoxyaniline is COc1ccccc1NCC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[(1-benzylpiperidin-4-yl)methyl]-2-methoxyaniline?
The InChIKey is KUZVHUCPWIDIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-23-20-10-6-5-9-19(20)21-15-17-11-13-22(14-12-17)16-18-7-3-2-4-8-18/h2-10,17,21H,11-16H2,1H3.
What are the key properties of N-[(1-benzylpiperidin-4-yl)methyl]-2-methoxyaniline?
N-[(1-benzylpiperidin-4-yl)methyl]-2-methoxyaniline has a molecular weight of 310.44 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-4-yl)methyl]-2-methoxyaniline is sourced from PubChem (CID 154727098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).