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

C23H34N4O2 — CID 119111210

IUPAC2-(4-ethylpiperazin-1-yl)-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]propan-1-amine
SMILESCCN1CCN(C(C)CNCc2ccc(OCc3ccncc3)c(OC)c2)CC1
InChIInChI=1S/C23H34N4O2/c1-4-26-11-13-27(14-12-26)19(2)16-25-17-21-5-6-22(23(15-21)28-3)29-18-20-7-9-24-10-8-20/h5-10,15,19,25H,4,11-14,16-18H2,1-3H3
InChIKeyKECDJCYUUDVCRP-UHFFFAOYSA-N
MW398.55 g/mol
LogP2.78
Rot. Bonds10

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

2-(4-ethylpiperazin-1-yl)-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]propan-1-amine (PubChem CID 119111210) has the molecular formula C23H34N4O2 and a molecular weight of 398.55 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]propan-1-amine
PubChem CID119111210
Molecular FormulaC23H34N4O2
Molecular Weight398.55 g/mol
Exact Mass398.27
IUPAC Name2-(4-ethylpiperazin-1-yl)-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]propan-1-amine
SMILESCCN1CCN(C(C)CNCc2ccc(OCc3ccncc3)c(OC)c2)CC1
InChIInChI=1S/C23H34N4O2/c1-4-26-11-13-27(14-12-26)19(2)16-25-17-21-5-6-22(23(15-21)28-3)29-18-20-7-9-24-10-8-20/h5-10,15,19,25H,4,11-14,16-18H2,1-3H3
InChIKeyKECDJCYUUDVCRP-UHFFFAOYSA-N
XLogP2.78
TPSA49.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 166187432
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]propan-2-amine
CID 43275392
2-(4-ethylpiperazin-1-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 119111201
1-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]-4-ethylpiperazine
CID 30982426
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43275383
1-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 166247218
N-[[4-[(5,6-dichloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine
CID 118717606
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 119127593
1-[4-(butylaminomethyl)-2-methoxyphenoxy]-3-(4-ethylpiperazin-1-yl)propan-2-ol
CID 45208013
(2S)-1-(azocan-1-yl)-3-[2-methoxy-4-[(2-pyridin-4-ylethylamino)methyl]phenoxy]propan-2-ol
CID 25275251
1-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]propan-2-ol
CID 4719391
(2S)-1-(4-ethylpiperazin-1-yl)-3-[2-methoxy-4-[[(3-methylphenyl)methylamino]methyl]phenoxy]propan-2-ol
CID 29210535

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]propan-1-amine?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]propan-1-amine (CID 119111210) is 2-(4-ethylpiperazin-1-yl)-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]propan-1-amine.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]propan-1-amine?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]propan-1-amine is CCN1CCN(C(C)CNCc2ccc(OCc3ccncc3)c(OC)c2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]propan-1-amine?
The InChIKey is KECDJCYUUDVCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O2/c1-4-26-11-13-27(14-12-26)19(2)16-25-17-21-5-6-22(23(15-21)28-3)29-18-20-7-9-24-10-8-20/h5-10,15,19,25H,4,11-14,16-18H2,1-3H3.
What are the key properties of 2-(4-ethylpiperazin-1-yl)-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]propan-1-amine?
2-(4-ethylpiperazin-1-yl)-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]propan-1-amine has a molecular weight of 398.55 g/mol, XLogP of 2.78, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 119111210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).