6-chloro-5-methoxy-3-(piperazin-1-ylmethyl)-1H-indole

C14H18ClN3O — CID 98035174

IUPAC6-chloro-5-methoxy-3-(piperazin-1-ylmethyl)-1H-indole
SMILESCOc1cc2c(CN3CCNCC3)c[nH]c2cc1Cl
InChIInChI=1S/C14H18ClN3O/c1-19-14-6-11-10(8-17-13(11)7-12(14)15)9-18-4-2-16-3-5-18/h6-8,16-17H,2-5,9H2,1H3
InChIKeyZEACVJYXSXYVLL-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.24
Rot. Bonds3

About 6-chloro-5-methoxy-3-(piperazin-1-ylmethyl)-1H-indole

6-chloro-5-methoxy-3-(piperazin-1-ylmethyl)-1H-indole (PubChem CID 98035174) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 6-chloro-5-methoxy-3-(piperazin-1-ylmethyl)-1H-indole.

Molecular Properties

Compound Name6-chloro-5-methoxy-3-(piperazin-1-ylmethyl)-1H-indole
PubChem CID98035174
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name6-chloro-5-methoxy-3-(piperazin-1-ylmethyl)-1H-indole
SMILESCOc1cc2c(CN3CCNCC3)c[nH]c2cc1Cl
InChIInChI=1S/C14H18ClN3O/c1-19-14-6-11-10(8-17-13(11)7-12(14)15)9-18-4-2-16-3-5-18/h6-8,16-17H,2-5,9H2,1H3
InChIKeyZEACVJYXSXYVLL-UHFFFAOYSA-N
XLogP2.24
TPSA40.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-1,4-diazepane
CID 82305364
5-methyl-3-(piperazin-1-ylmethyl)-1H-indole
CID 82277559
1-[(2-chloro-5-methoxy-4-methylphenyl)methyl]piperazine
CID 117390256
4-(6-chloro-5-methoxy-1H-indol-3-yl)butan-2-one
CID 82499388
5-chloro-2-methoxy-4-(piperazin-1-ylmethyl)phenol
CID 117395379
3-(piperazin-1-ylmethyl)-1H-indol-5-ol
CID 117174988
1-[(2,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride
CID 46736385
1-[(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)methyl]piperazine
CID 117495714
1-[(5-chloro-3-fluoro-2,4-dimethoxyphenyl)methyl]piperazine
CID 117466502
3-(1,4-diazepan-1-ylmethyl)-5-methyl-1H-indole
CID 82497500
7-(1,4-diazepan-1-ylmethyl)-5H-[1,3]dioxolo[4,5-f]indole
CID 96679886
1-[(2-chloro-4-methoxyphenyl)methyl]piperazine
CID 5037695

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methoxy-3-(piperazin-1-ylmethyl)-1H-indole?
The IUPAC name of 6-chloro-5-methoxy-3-(piperazin-1-ylmethyl)-1H-indole (CID 98035174) is 6-chloro-5-methoxy-3-(piperazin-1-ylmethyl)-1H-indole.
What is the SMILES notation for 6-chloro-5-methoxy-3-(piperazin-1-ylmethyl)-1H-indole?
The canonical SMILES for 6-chloro-5-methoxy-3-(piperazin-1-ylmethyl)-1H-indole is COc1cc2c(CN3CCNCC3)c[nH]c2cc1Cl.
What is the InChIKey of 6-chloro-5-methoxy-3-(piperazin-1-ylmethyl)-1H-indole?
The InChIKey is ZEACVJYXSXYVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-19-14-6-11-10(8-17-13(11)7-12(14)15)9-18-4-2-16-3-5-18/h6-8,16-17H,2-5,9H2,1H3.
What are the key properties of 6-chloro-5-methoxy-3-(piperazin-1-ylmethyl)-1H-indole?
6-chloro-5-methoxy-3-(piperazin-1-ylmethyl)-1H-indole has a molecular weight of 279.77 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methoxy-3-(piperazin-1-ylmethyl)-1H-indole is sourced from PubChem (CID 98035174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).