1-ethyl-4-methoxy-2-(piperazin-1-ylmethyl)-2,3-dihydroindole

C16H25N3O — CID 117199152

IUPAC1-ethyl-4-methoxy-2-(piperazin-1-ylmethyl)-2,3-dihydroindole
SMILESCCN1c2cccc(OC)c2CC1CN1CCNCC1
InChIInChI=1S/C16H25N3O/c1-3-19-13(12-18-9-7-17-8-10-18)11-14-15(19)5-4-6-16(14)20-2/h4-6,13,17H,3,7-12H2,1-2H3
InChIKeyZDZWMSRKHRSWBU-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.35
Rot. Bonds4

About 1-ethyl-4-methoxy-2-(piperazin-1-ylmethyl)-2,3-dihydroindole

1-ethyl-4-methoxy-2-(piperazin-1-ylmethyl)-2,3-dihydroindole (PubChem CID 117199152) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-ethyl-4-methoxy-2-(piperazin-1-ylmethyl)-2,3-dihydroindole.

Molecular Properties

Compound Name1-ethyl-4-methoxy-2-(piperazin-1-ylmethyl)-2,3-dihydroindole
PubChem CID117199152
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-ethyl-4-methoxy-2-(piperazin-1-ylmethyl)-2,3-dihydroindole
SMILESCCN1c2cccc(OC)c2CC1CN1CCNCC1
InChIInChI=1S/C16H25N3O/c1-3-19-13(12-18-9-7-17-8-10-18)11-14-15(19)5-4-6-16(14)20-2/h4-6,13,17H,3,7-12H2,1-2H3
InChIKeyZDZWMSRKHRSWBU-UHFFFAOYSA-N
XLogP1.35
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-ethyl-4-methoxy-2,3-dihydroindol-2-yl)methanamine
CID 117199162
2-(1-ethyl-4-methoxy-2,3-dihydroindol-2-yl)acetic acid
CID 117199204
3-(1-ethyl-4-methoxy-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine
CID 117199191
1-ethyl-2-(piperazin-1-ylmethyl)-2,3-dihydroindol-5-ol
CID 117201498
1-(2-ethyl-3-methoxyphenyl)piperazine
CID 143239355
3-(azetidin-1-ylmethyl)-8-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 105491573
1-[(3-methoxy-2-methylphenyl)methyl]piperazine
CID 83707267
4-[(5-methoxy-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]morpholine
CID 151491731
1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine;dihydrochloride
CID 67828788
acetaldehyde;1-(2-methoxyphenyl)piperazine
CID 157082158
(4-chloro-1-ethyl-2,3-dihydroindol-2-yl)methanamine
CID 117198789
2-piperazin-1-ylethanamine;tris(2-methoxyphenyl)borane
CID 45050786

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-methoxy-2-(piperazin-1-ylmethyl)-2,3-dihydroindole?
The IUPAC name of 1-ethyl-4-methoxy-2-(piperazin-1-ylmethyl)-2,3-dihydroindole (CID 117199152) is 1-ethyl-4-methoxy-2-(piperazin-1-ylmethyl)-2,3-dihydroindole.
What is the SMILES notation for 1-ethyl-4-methoxy-2-(piperazin-1-ylmethyl)-2,3-dihydroindole?
The canonical SMILES for 1-ethyl-4-methoxy-2-(piperazin-1-ylmethyl)-2,3-dihydroindole is CCN1c2cccc(OC)c2CC1CN1CCNCC1.
What is the InChIKey of 1-ethyl-4-methoxy-2-(piperazin-1-ylmethyl)-2,3-dihydroindole?
The InChIKey is ZDZWMSRKHRSWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-19-13(12-18-9-7-17-8-10-18)11-14-15(19)5-4-6-16(14)20-2/h4-6,13,17H,3,7-12H2,1-2H3.
What are the key properties of 1-ethyl-4-methoxy-2-(piperazin-1-ylmethyl)-2,3-dihydroindole?
1-ethyl-4-methoxy-2-(piperazin-1-ylmethyl)-2,3-dihydroindole has a molecular weight of 275.40 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methoxy-2-(piperazin-1-ylmethyl)-2,3-dihydroindole is sourced from PubChem (CID 117199152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).