2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-N-(pyridin-3-ylmethyl)ethanamine

C22H31N3O — CID 25289668

IUPAC2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-N-(pyridin-3-ylmethyl)ethanamine
SMILESCOc1ccc(CCN(Cc2cccnc2)CC2CCN(C)CC2)cc1
InChIInChI=1S/C22H31N3O/c1-24-13-9-20(10-14-24)17-25(18-21-4-3-12-23-16-21)15-11-19-5-7-22(26-2)8-6-19/h3-8,12,16,20H,9-11,13-15,17-18H2,1-2H3
InChIKeyMIULNDJDOSHIKA-UHFFFAOYSA-N
MW353.51 g/mol
LogP3.48
Rot. Bonds8

About 2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-N-(pyridin-3-ylmethyl)ethanamine

2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-N-(pyridin-3-ylmethyl)ethanamine (PubChem CID 25289668) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-N-(pyridin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-N-(pyridin-3-ylmethyl)ethanamine
PubChem CID25289668
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC Name2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-N-(pyridin-3-ylmethyl)ethanamine
SMILESCOc1ccc(CCN(Cc2cccnc2)CC2CCN(C)CC2)cc1
InChIInChI=1S/C22H31N3O/c1-24-13-9-20(10-14-24)17-25(18-21-4-3-12-23-16-21)15-11-19-5-7-22(26-2)8-6-19/h3-8,12,16,20H,9-11,13-15,17-18H2,1-2H3
InChIKeyMIULNDJDOSHIKA-UHFFFAOYSA-N
XLogP3.48
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 53.48
H-Bond Donors ≤ 50
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
1-(1-cyclohexylpiperidin-3-yl)-N-[(4-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)methanamine
CID 45232683
2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-N-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]ethanamine
CID 42461936
N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]methanesulfonamide
CID 72866904
N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-(pyridin-3-ylmethyl)ethanamine
CID 25274770
N-(cyclopropylmethyl)-N-[(4-methoxyphenyl)methyl]propan-1-amine
CID 783025
3-methoxy-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 24732333
(3S)-3-[2-(4-methoxyphenyl)ethyl]-1-methylpyrrolidine
CID 150264737
N-[(2-methoxyphenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)ethanamine
CID 46993097
N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 25373827
3-[[1-[2-(4-methoxyphenyl)propyl]piperidin-4-yl]methyl]pyridine
CID 75451917
N-[[(3S)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-pyridin-3-ylpropanamide
CID 42098715

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-N-(pyridin-3-ylmethyl)ethanamine?
The IUPAC name of 2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-N-(pyridin-3-ylmethyl)ethanamine (CID 25289668) is 2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-N-(pyridin-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-N-(pyridin-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-N-(pyridin-3-ylmethyl)ethanamine is COc1ccc(CCN(Cc2cccnc2)CC2CCN(C)CC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-N-(pyridin-3-ylmethyl)ethanamine?
The InChIKey is MIULNDJDOSHIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O/c1-24-13-9-20(10-14-24)17-25(18-21-4-3-12-23-16-21)15-11-19-5-7-22(26-2)8-6-19/h3-8,12,16,20H,9-11,13-15,17-18H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-N-(pyridin-3-ylmethyl)ethanamine?
2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-N-(pyridin-3-ylmethyl)ethanamine has a molecular weight of 353.51 g/mol, XLogP of 3.48, 8 rotatable bonds, 0 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-(pyridin-3-ylmethyl)ethanamine is sourced from PubChem (CID 25289668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).