1-ethyl-3-[(3-methylpiperazin-1-yl)methyl]indole

C16H23N3 — CID 65418728

IUPAC1-ethyl-3-[(3-methylpiperazin-1-yl)methyl]indole
SMILESCCn1cc(CN2CCNC(C)C2)c2ccccc21
InChIInChI=1S/C16H23N3/c1-3-19-12-14(15-6-4-5-7-16(15)19)11-18-9-8-17-13(2)10-18/h4-7,12-13,17H,3,8-11H2,1-2H3
InChIKeyDMVWZXJQLYVRER-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.45
Rot. Bonds3

About 1-ethyl-3-[(3-methylpiperazin-1-yl)methyl]indole

1-ethyl-3-[(3-methylpiperazin-1-yl)methyl]indole (PubChem CID 65418728) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-ethyl-3-[(3-methylpiperazin-1-yl)methyl]indole.

Molecular Properties

Compound Name1-ethyl-3-[(3-methylpiperazin-1-yl)methyl]indole
PubChem CID65418728
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-ethyl-3-[(3-methylpiperazin-1-yl)methyl]indole
SMILESCCn1cc(CN2CCNC(C)C2)c2ccccc21
InChIInChI=1S/C16H23N3/c1-3-19-12-14(15-6-4-5-7-16(15)19)11-18-9-8-17-13(2)10-18/h4-7,12-13,17H,3,8-11H2,1-2H3
InChIKeyDMVWZXJQLYVRER-UHFFFAOYSA-N
XLogP2.45
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(3-methylpiperazin-1-yl)methyl]indole?
The IUPAC name of 1-ethyl-3-[(3-methylpiperazin-1-yl)methyl]indole (CID 65418728) is 1-ethyl-3-[(3-methylpiperazin-1-yl)methyl]indole.
What is the SMILES notation for 1-ethyl-3-[(3-methylpiperazin-1-yl)methyl]indole?
The canonical SMILES for 1-ethyl-3-[(3-methylpiperazin-1-yl)methyl]indole is CCn1cc(CN2CCNC(C)C2)c2ccccc21.
What is the InChIKey of 1-ethyl-3-[(3-methylpiperazin-1-yl)methyl]indole?
The InChIKey is DMVWZXJQLYVRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-3-19-12-14(15-6-4-5-7-16(15)19)11-18-9-8-17-13(2)10-18/h4-7,12-13,17H,3,8-11H2,1-2H3.
What are the key properties of 1-ethyl-3-[(3-methylpiperazin-1-yl)methyl]indole?
1-ethyl-3-[(3-methylpiperazin-1-yl)methyl]indole has a molecular weight of 257.38 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(3-methylpiperazin-1-yl)methyl]indole is sourced from PubChem (CID 65418728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).