1-ethyl-3-[[(3S)-3-methylpiperazin-1-yl]methyl]indazole

C15H22N4 — CID 104881355

IUPAC1-ethyl-3-[[(3S)-3-methylpiperazin-1-yl]methyl]indazole
SMILESCCn1nc(CN2CCN[C@@H](C)C2)c2ccccc21
InChIInChI=1S/C15H22N4/c1-3-19-15-7-5-4-6-13(15)14(17-19)11-18-9-8-16-12(2)10-18/h4-7,12,16H,3,8-11H2,1-2H3/t12-/m0/s1
InChIKeyUGVHYCWAJFYDIH-LBPRGKRZSA-N
MW258.37 g/mol
LogP1.85
Rot. Bonds3

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

1-ethyl-3-[[(3S)-3-methylpiperazin-1-yl]methyl]indazole (PubChem CID 104881355) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-ethyl-3-[[(3S)-3-methylpiperazin-1-yl]methyl]indazole.

Molecular Properties

Compound Name1-ethyl-3-[[(3S)-3-methylpiperazin-1-yl]methyl]indazole
PubChem CID104881355
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name1-ethyl-3-[[(3S)-3-methylpiperazin-1-yl]methyl]indazole
SMILESCCn1nc(CN2CCN[C@@H](C)C2)c2ccccc21
InChIInChI=1S/C15H22N4/c1-3-19-15-7-5-4-6-13(15)14(17-19)11-18-9-8-16-12(2)10-18/h4-7,12,16H,3,8-11H2,1-2H3/t12-/m0/s1
InChIKeyUGVHYCWAJFYDIH-LBPRGKRZSA-N
XLogP1.85
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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1-ethyl-3-[(3-methylpiperazin-1-yl)methyl]indole
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2-(1-ethylindazol-3-yl)-1-thiomorpholin-3-ylethanone
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(3S)-1-benzyl-3-methylpiperazine;hydrochloride
CID 52982949
1-benzyl-3-methylpiperazine;ethane
CID 166543639
3-chloro-4-methyl-2-[(3-methylpiperazin-1-yl)methyl]quinoline;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[[(3S)-3-methylpiperazin-1-yl]methyl]indazole?
The IUPAC name of 1-ethyl-3-[[(3S)-3-methylpiperazin-1-yl]methyl]indazole (CID 104881355) is 1-ethyl-3-[[(3S)-3-methylpiperazin-1-yl]methyl]indazole.
What is the SMILES notation for 1-ethyl-3-[[(3S)-3-methylpiperazin-1-yl]methyl]indazole?
The canonical SMILES for 1-ethyl-3-[[(3S)-3-methylpiperazin-1-yl]methyl]indazole is CCn1nc(CN2CCN[C@@H](C)C2)c2ccccc21.
What is the InChIKey of 1-ethyl-3-[[(3S)-3-methylpiperazin-1-yl]methyl]indazole?
The InChIKey is UGVHYCWAJFYDIH-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N4/c1-3-19-15-7-5-4-6-13(15)14(17-19)11-18-9-8-16-12(2)10-18/h4-7,12,16H,3,8-11H2,1-2H3/t12-/m0/s1.
What are the key properties of 1-ethyl-3-[[(3S)-3-methylpiperazin-1-yl]methyl]indazole?
1-ethyl-3-[[(3S)-3-methylpiperazin-1-yl]methyl]indazole has a molecular weight of 258.37 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[[(3S)-3-methylpiperazin-1-yl]methyl]indazole is sourced from PubChem (CID 104881355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).