2-(4-ethylpiperazin-1-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]propan-1-amine

C22H32N4O — CID 119111201

IUPAC2-(4-ethylpiperazin-1-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]propan-1-amine
SMILESCCN1CCN(C(C)CNCc2ccccc2OCc2cccnc2)CC1
InChIInChI=1S/C22H32N4O/c1-3-25-11-13-26(14-12-25)19(2)15-24-17-21-8-4-5-9-22(21)27-18-20-7-6-10-23-16-20/h4-10,16,19,24H,3,11-15,17-18H2,1-2H3
InChIKeyNKMDZQXLUVFEME-UHFFFAOYSA-N
MW368.53 g/mol
LogP2.78
Rot. Bonds9

About 2-(4-ethylpiperazin-1-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]propan-1-amine

2-(4-ethylpiperazin-1-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]propan-1-amine (PubChem CID 119111201) has the molecular formula C22H32N4O and a molecular weight of 368.53 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]propan-1-amine
PubChem CID119111201
Molecular FormulaC22H32N4O
Molecular Weight368.53 g/mol
Exact Mass368.26
IUPAC Name2-(4-ethylpiperazin-1-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]propan-1-amine
SMILESCCN1CCN(C(C)CNCc2ccccc2OCc2cccnc2)CC1
InChIInChI=1S/C22H32N4O/c1-3-25-11-13-26(14-12-25)19(2)15-24-17-21-8-4-5-9-22(21)27-18-20-7-6-10-23-16-20/h4-10,16,19,24H,3,11-15,17-18H2,1-2H3
InChIKeyNKMDZQXLUVFEME-UHFFFAOYSA-N
XLogP2.78
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-ethylpiperazin-1-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]propan-1-amine with MolForge

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Related Compounds

3-methyl-1-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]butan-2-ol
CID 111422039
N-methyl-N-[[2-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]phenyl]methyl]propan-2-amine
CID 119111085
2-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]ethanol
CID 111421639
2-(4-ethylpiperazin-1-yl)-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]propan-1-amine
CID 119111210
1-[(2R)-1-methylpyrrolidin-2-yl]-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]methanamine
CID 124684778
N-[(2-ethoxyphenyl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 61011125
(1S)-1-(5-methyl-1,3-oxazol-2-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine
CID 97347457
1-(1-methylpiperidin-3-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]methanamine
CID 119125973
3-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]propan-1-ol
CID 110929258
1-[3-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]propyl]piperidin-4-ol
CID 119111975
1-(2,2-difluoroethyl)-4-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]-1,4-diazepane
CID 126803303
2-ethyl-2-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]butanoic acid
CID 122129096

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]propan-1-amine?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]propan-1-amine (CID 119111201) is 2-(4-ethylpiperazin-1-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]propan-1-amine.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]propan-1-amine?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]propan-1-amine is CCN1CCN(C(C)CNCc2ccccc2OCc2cccnc2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]propan-1-amine?
The InChIKey is NKMDZQXLUVFEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O/c1-3-25-11-13-26(14-12-25)19(2)15-24-17-21-8-4-5-9-22(21)27-18-20-7-6-10-23-16-20/h4-10,16,19,24H,3,11-15,17-18H2,1-2H3.
What are the key properties of 2-(4-ethylpiperazin-1-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]propan-1-amine?
2-(4-ethylpiperazin-1-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]propan-1-amine has a molecular weight of 368.53 g/mol, XLogP of 2.78, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 119111201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).