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

C14H18ClN3 — CID 82278751

IUPAC6-chloro-1-methyl-3-(piperazin-1-ylmethyl)indole
SMILESCn1cc(CN2CCNCC2)c2ccc(Cl)cc21
InChIInChI=1S/C14H18ClN3/c1-17-9-11(10-18-6-4-16-5-7-18)13-3-2-12(15)8-14(13)17/h2-3,8-9,16H,4-7,10H2,1H3
InChIKeyNIIMRYJZGZJRIK-UHFFFAOYSA-N
MW263.77 g/mol
LogP2.24
Rot. Bonds2

About 6-chloro-1-methyl-3-(piperazin-1-ylmethyl)indole

6-chloro-1-methyl-3-(piperazin-1-ylmethyl)indole (PubChem CID 82278751) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 6-chloro-1-methyl-3-(piperazin-1-ylmethyl)indole.

Molecular Properties

Compound Name6-chloro-1-methyl-3-(piperazin-1-ylmethyl)indole
PubChem CID82278751
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name6-chloro-1-methyl-3-(piperazin-1-ylmethyl)indole
SMILESCn1cc(CN2CCNCC2)c2ccc(Cl)cc21
InChIInChI=1S/C14H18ClN3/c1-17-9-11(10-18-6-4-16-5-7-18)13-3-2-12(15)8-14(13)17/h2-3,8-9,16H,4-7,10H2,1H3
InChIKeyNIIMRYJZGZJRIK-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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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-methyl-3-(piperazin-1-ylmethyl)indole?
The IUPAC name of 6-chloro-1-methyl-3-(piperazin-1-ylmethyl)indole (CID 82278751) is 6-chloro-1-methyl-3-(piperazin-1-ylmethyl)indole.
What is the SMILES notation for 6-chloro-1-methyl-3-(piperazin-1-ylmethyl)indole?
The canonical SMILES for 6-chloro-1-methyl-3-(piperazin-1-ylmethyl)indole is Cn1cc(CN2CCNCC2)c2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-1-methyl-3-(piperazin-1-ylmethyl)indole?
The InChIKey is NIIMRYJZGZJRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-17-9-11(10-18-6-4-16-5-7-18)13-3-2-12(15)8-14(13)17/h2-3,8-9,16H,4-7,10H2,1H3.
What are the key properties of 6-chloro-1-methyl-3-(piperazin-1-ylmethyl)indole?
6-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 6-chloro-1-methyl-3-(piperazin-1-ylmethyl)indole is sourced from PubChem (CID 82278751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).