4-chloro-1-methyl-3-(piperazin-1-ylmethyl)indole

C14H18ClN3 — CID 82666815

IUPAC4-chloro-1-methyl-3-(piperazin-1-ylmethyl)indole
SMILESCn1cc(CN2CCNCC2)c2c(Cl)cccc21
InChIInChI=1S/C14H18ClN3/c1-17-9-11(10-18-7-5-16-6-8-18)14-12(15)3-2-4-13(14)17/h2-4,9,16H,5-8,10H2,1H3
InChIKeyCGQJNHFRJAOOKU-UHFFFAOYSA-N
MW263.77 g/mol
LogP2.24
Rot. Bonds2

About 4-chloro-1-methyl-3-(piperazin-1-ylmethyl)indole

4-chloro-1-methyl-3-(piperazin-1-ylmethyl)indole (PubChem CID 82666815) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 4-chloro-1-methyl-3-(piperazin-1-ylmethyl)indole.

Molecular Properties

Compound Name4-chloro-1-methyl-3-(piperazin-1-ylmethyl)indole
PubChem CID82666815
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name4-chloro-1-methyl-3-(piperazin-1-ylmethyl)indole
SMILESCn1cc(CN2CCNCC2)c2c(Cl)cccc21
InChIInChI=1S/C14H18ClN3/c1-17-9-11(10-18-7-5-16-6-8-18)14-12(15)3-2-4-13(14)17/h2-4,9,16H,5-8,10H2,1H3
InChIKeyCGQJNHFRJAOOKU-UHFFFAOYSA-N
XLogP2.24
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-1-methylindol-3-yl)methanol
CID 117119629
6-chloro-1-methyl-3-(piperazin-1-ylmethyl)indole
CID 82278751
[1-methyl-3-(piperidin-1-ylmethyl)indol-4-yl]methanamine
CID 117171054
1-[(2,6-dichlorophenyl)methyl]piperazine
CID 770796
4-chloro-3-(iodomethyl)-1-methylindole;N,N-dimethylmethanamine
CID 69427691
3-(azepan-1-ylmethyl)-1-methylindole-4-carboxylic acid
CID 117171543
1-[(3-chloro-2-ethoxyphenyl)methyl]piperazine
CID 120833653
1-[(3-chloro-2-pyrrolidin-1-ylphenyl)methyl]piperazine;piperazine
CID 174835848
4-[(4-bromo-1-methylindol-3-yl)methyl]morpholine
CID 117171194
1-methyl-3-(piperazin-1-ylmethyl)indol-5-amine
CID 117174991
4-[(4-fluoro-1-methylindol-3-yl)methyl]morpholine
CID 117171192
1-(2-chlorophenyl)sulfonyl-3-(difluoromethyl)-4-(piperazin-1-ylmethyl)indole;ethane
CID 144993589

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-3-(piperazin-1-ylmethyl)indole?
The IUPAC name of 4-chloro-1-methyl-3-(piperazin-1-ylmethyl)indole (CID 82666815) is 4-chloro-1-methyl-3-(piperazin-1-ylmethyl)indole.
What is the SMILES notation for 4-chloro-1-methyl-3-(piperazin-1-ylmethyl)indole?
The canonical SMILES for 4-chloro-1-methyl-3-(piperazin-1-ylmethyl)indole is Cn1cc(CN2CCNCC2)c2c(Cl)cccc21.
What is the InChIKey of 4-chloro-1-methyl-3-(piperazin-1-ylmethyl)indole?
The InChIKey is CGQJNHFRJAOOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-17-9-11(10-18-7-5-16-6-8-18)14-12(15)3-2-4-13(14)17/h2-4,9,16H,5-8,10H2,1H3.
What are the key properties of 4-chloro-1-methyl-3-(piperazin-1-ylmethyl)indole?
4-chloro-1-methyl-3-(piperazin-1-ylmethyl)indole has a molecular weight of 263.77 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-3-(piperazin-1-ylmethyl)indole is sourced from PubChem (CID 82666815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).