2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-N-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]ethanamine

C24H38N4O — CID 42461936

IUPAC2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-N-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]ethanamine
SMILESCOc1ccc(CCN(Cc2cc(CC(C)C)n[nH]2)CC2CCN(C)CC2)cc1
InChIInChI=1S/C24H38N4O/c1-19(2)15-22-16-23(26-25-22)18-28(17-21-9-12-27(3)13-10-21)14-11-20-5-7-24(29-4)8-6-20/h5-8,16,19,21H,9-15,17-18H2,1-4H3,(H,25,26)
InChIKeyAADCHQMKVYLICV-UHFFFAOYSA-N
MW398.60 g/mol
LogP4.00
Rot. Bonds10

About 2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-N-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]ethanamine

2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-N-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]ethanamine (PubChem CID 42461936) has the molecular formula C24H38N4O and a molecular weight of 398.60 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-N-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-N-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]ethanamine
PubChem CID42461936
Molecular FormulaC24H38N4O
Molecular Weight398.60 g/mol
Exact Mass398.30
IUPAC Name2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-N-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]ethanamine
SMILESCOc1ccc(CCN(Cc2cc(CC(C)C)n[nH]2)CC2CCN(C)CC2)cc1
InChIInChI=1S/C24H38N4O/c1-19(2)15-22-16-23(26-25-22)18-28(17-21-9-12-27(3)13-10-21)14-11-20-5-7-24(29-4)8-6-20/h5-8,16,19,21H,9-15,17-18H2,1-4H3,(H,25,26)
InChIKeyAADCHQMKVYLICV-UHFFFAOYSA-N
XLogP4.00
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.60
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxy-3-methylphenyl)methyl]-2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 25457846
2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-N-(pyridin-3-ylmethyl)ethanamine
CID 25289668
N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]methanesulfonamide
CID 72866904
N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 25373827
1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methyl-N-(quinolin-2-ylmethyl)methanamine
CID 26396180
(3S)-3-[2-(4-methoxyphenyl)ethyl]-1-methylpyrrolidine
CID 150264737
N-[(4-fluorophenyl)methyl]-1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methylmethanamine
CID 26407576
N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]morpholine-2-carboxamide;dihydrochloride
CID 154900232
N-(cyclopropylmethyl)-N-[(4-methoxyphenyl)methyl]propan-1-amine
CID 783025
4,4,4-trifluoro-N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]butanamide
CID 42526208
4-cyano-N-[2-(4-methoxyphenyl)ethyl]-1-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrrole-2-carboxamide
CID 72918434
3-(furan-2-yl)-N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]propanamide
CID 26399408

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-N-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]ethanamine?
The IUPAC name of 2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-N-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]ethanamine (CID 42461936) is 2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-N-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]ethanamine.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-N-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]ethanamine?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-N-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]ethanamine is COc1ccc(CCN(Cc2cc(CC(C)C)n[nH]2)CC2CCN(C)CC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-N-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]ethanamine?
The InChIKey is AADCHQMKVYLICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O/c1-19(2)15-22-16-23(26-25-22)18-28(17-21-9-12-27(3)13-10-21)14-11-20-5-7-24(29-4)8-6-20/h5-8,16,19,21H,9-15,17-18H2,1-4H3,(H,25,26).
What are the key properties of 2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-N-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]ethanamine?
2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-N-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]ethanamine has a molecular weight of 398.60 g/mol, XLogP of 4.00, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-N-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 42461936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).