1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine

C26H34N4O — CID 26325235

IUPAC1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine
SMILESCOc1ccc(CCN2CCC(CN(C)Cc3cnn(-c4ccccc4)c3)CC2)cc1
InChIInChI=1S/C26H34N4O/c1-28(20-24-18-27-30(21-24)25-6-4-3-5-7-25)19-23-13-16-29(17-14-23)15-12-22-8-10-26(31-2)11-9-22/h3-11,18,21,23H,12-17,19-20H2,1-2H3
InChIKeyJKRALBAWWDRRPL-UHFFFAOYSA-N
MW418.59 g/mol
LogP4.27
Rot. Bonds9

About 1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine

1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine (PubChem CID 26325235) has the molecular formula C26H34N4O and a molecular weight of 418.59 g/mol. Its IUPAC name is 1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine
PubChem CID26325235
Molecular FormulaC26H34N4O
Molecular Weight418.59 g/mol
Exact Mass418.27
IUPAC Name1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine
SMILESCOc1ccc(CCN2CCC(CN(C)Cc3cnn(-c4ccccc4)c3)CC2)cc1
InChIInChI=1S/C26H34N4O/c1-28(20-24-18-27-30(21-24)25-6-4-3-5-7-25)19-23-13-16-29(17-14-23)15-12-22-8-10-26(31-2)11-9-22/h3-11,18,21,23H,12-17,19-20H2,1-2H3
InChIKeyJKRALBAWWDRRPL-UHFFFAOYSA-N
XLogP4.27
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.59
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine (CID 26325235) is 1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine is COc1ccc(CCN2CCC(CN(C)Cc3cnn(-c4ccccc4)c3)CC2)cc1.
What is the InChIKey of 1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine?
The InChIKey is JKRALBAWWDRRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O/c1-28(20-24-18-27-30(21-24)25-6-4-3-5-7-25)19-23-13-16-29(17-14-23)15-12-22-8-10-26(31-2)11-9-22/h3-11,18,21,23H,12-17,19-20H2,1-2H3.
What are the key properties of 1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine?
1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine has a molecular weight of 418.59 g/mol, XLogP of 4.27, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 26325235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).