(1R)-N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-1-(3-methoxyphenyl)ethanamine

C21H30N4O — CID 97221087

IUPAC(1R)-N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-1-(3-methoxyphenyl)ethanamine
SMILESCCN1CCN(c2cc(CN[C@H](C)c3cccc(OC)c3)ccn2)CC1
InChIInChI=1S/C21H30N4O/c1-4-24-10-12-25(13-11-24)21-14-18(8-9-22-21)16-23-17(2)19-6-5-7-20(15-19)26-3/h5-9,14-15,17,23H,4,10-13,16H2,1-3H3/t17-/m1/s1
InChIKeyWHCMSNGQHQDGJS-QGZVFWFLSA-N
MW354.50 g/mol
LogP3.08
Rot. Bonds7

About (1R)-N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-1-(3-methoxyphenyl)ethanamine

(1R)-N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-1-(3-methoxyphenyl)ethanamine (PubChem CID 97221087) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is (1R)-N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-1-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-1-(3-methoxyphenyl)ethanamine
PubChem CID97221087
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name(1R)-N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-1-(3-methoxyphenyl)ethanamine
SMILESCCN1CCN(c2cc(CN[C@H](C)c3cccc(OC)c3)ccn2)CC1
InChIInChI=1S/C21H30N4O/c1-4-24-10-12-25(13-11-24)21-14-18(8-9-22-21)16-23-17(2)19-6-5-7-20(15-19)26-3/h5-9,14-15,17,23H,4,10-13,16H2,1-3H3/t17-/m1/s1
InChIKeyWHCMSNGQHQDGJS-QGZVFWFLSA-N
XLogP3.08
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R)-N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-1-(3-methoxyphenyl)ethanamine with MolForge

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Related Compounds

(1S)-N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-1-(5-fluoro-3-pyridinyl)ethanamine
CID 97231063
1-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-3-[2-(3-methoxyphenoxy)propyl]-2-methylguanidine;hydroiodide
CID 111679349
(2S)-N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-4-phenylbutan-2-amine
CID 97221084
(1R)-N-[(3,4-dichlorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376275
1-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 60945948
(1R)-1-(3-methoxyphenyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 28712390
(1R)-1-(3-methoxyphenyl)-N-(1H-pyrrol-3-ylmethyl)ethanamine
CID 81376430
(1R)-N-[(3,4-difluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376127
1-(3-methoxyphenyl)-N-[(3-pyrazin-2-ylphenyl)methyl]ethanamine
CID 22391578
(1R)-1-(3-methoxyphenyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]ethanamine
CID 59803177
3-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-1-[(4-methoxyphenyl)methyl]-1,2-dimethylguanidine;hydroiodide
CID 111272286
1-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-2-methyl-3-[2-(3-methylphenoxy)propyl]guanidine;hydroiodide
CID 111685507

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-1-(3-methoxyphenyl)ethanamine?
The IUPAC name of (1R)-N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-1-(3-methoxyphenyl)ethanamine (CID 97221087) is (1R)-N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-1-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for (1R)-N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-1-(3-methoxyphenyl)ethanamine?
The canonical SMILES for (1R)-N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-1-(3-methoxyphenyl)ethanamine is CCN1CCN(c2cc(CN[C@H](C)c3cccc(OC)c3)ccn2)CC1.
What is the InChIKey of (1R)-N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-1-(3-methoxyphenyl)ethanamine?
The InChIKey is WHCMSNGQHQDGJS-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H30N4O/c1-4-24-10-12-25(13-11-24)21-14-18(8-9-22-21)16-23-17(2)19-6-5-7-20(15-19)26-3/h5-9,14-15,17,23H,4,10-13,16H2,1-3H3/t17-/m1/s1.
What are the key properties of (1R)-N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-1-(3-methoxyphenyl)ethanamine?
(1R)-N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-1-(3-methoxyphenyl)ethanamine has a molecular weight of 354.50 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-1-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 97221087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).