5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine

C22H32N4O — CID 120846605

IUPAC5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine
SMILESCCc1ccc(C2CNCCN2Cc2ccc(N(C)CCOC)nc2)cc1
InChIInChI=1S/C22H32N4O/c1-4-18-5-8-20(9-6-18)21-16-23-11-12-26(21)17-19-7-10-22(24-15-19)25(2)13-14-27-3/h5-10,15,21,23H,4,11-14,16-17H2,1-3H3
InChIKeyRXRMURBKFRKQOD-UHFFFAOYSA-N
MW368.53 g/mol
LogP2.87
Rot. Bonds8

About 5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine

5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine (PubChem CID 120846605) has the molecular formula C22H32N4O and a molecular weight of 368.53 g/mol. Its IUPAC name is 5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine
PubChem CID120846605
Molecular FormulaC22H32N4O
Molecular Weight368.53 g/mol
Exact Mass368.26
IUPAC Name5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine
SMILESCCc1ccc(C2CNCCN2Cc2ccc(N(C)CCOC)nc2)cc1
InChIInChI=1S/C22H32N4O/c1-4-18-5-8-20(9-6-18)21-16-23-11-12-26(21)17-19-7-10-22(24-15-19)25(2)13-14-27-3/h5-10,15,21,23H,4,11-14,16-17H2,1-3H3
InChIKeyRXRMURBKFRKQOD-UHFFFAOYSA-N
XLogP2.87
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine
CID 120846541
N-(2-methoxyethyl)-N-methyl-5-[(2-methylpiperazin-1-yl)methyl]pyridin-2-amine
CID 120837108
N-ethyl-5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-N-methylpyridin-2-amine;hydrochloride
CID 120846546
2-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-5-methylpyrazine;dihydrochloride
CID 120758162
(3R)-4-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]-3-(2-methylpropyl)piperazin-2-one
CID 124846522
N-(2-methoxyethyl)-N-methyl-5-[(3-methylpiperazin-1-yl)methyl]pyridin-2-amine
CID 120840257
2-(4-ethylphenyl)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine
CID 120769026
3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole;hydrochloride
CID 120758108
5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine
CID 120769010
2-(4-ethylphenyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazine;hydrochloride
CID 120769087
N-methyl-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-N-propan-2-ylpyridin-2-amine;hydrochloride
CID 120912459
2-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride
CID 120769103

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine?
The IUPAC name of 5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine (CID 120846605) is 5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine.
What is the SMILES notation for 5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine?
The canonical SMILES for 5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine is CCc1ccc(C2CNCCN2Cc2ccc(N(C)CCOC)nc2)cc1.
What is the InChIKey of 5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine?
The InChIKey is RXRMURBKFRKQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O/c1-4-18-5-8-20(9-6-18)21-16-23-11-12-26(21)17-19-7-10-22(24-15-19)25(2)13-14-27-3/h5-10,15,21,23H,4,11-14,16-17H2,1-3H3.
What are the key properties of 5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine?
5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine has a molecular weight of 368.53 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine is sourced from PubChem (CID 120846605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).