3-chloro-2-(piperazin-1-ylmethyl)-1H-indole

C13H16ClN3 — CID 82511748

IUPAC3-chloro-2-(piperazin-1-ylmethyl)-1H-indole
SMILESClc1c(CN2CCNCC2)[nH]c2ccccc12
InChIInChI=1S/C13H16ClN3/c14-13-10-3-1-2-4-11(10)16-12(13)9-17-7-5-15-6-8-17/h1-4,15-16H,5-9H2
InChIKeyBNBMKYNVTBIMAL-UHFFFAOYSA-N
MW249.74 g/mol
LogP2.23
Rot. Bonds2

About 3-chloro-2-(piperazin-1-ylmethyl)-1H-indole

3-chloro-2-(piperazin-1-ylmethyl)-1H-indole (PubChem CID 82511748) has the molecular formula C13H16ClN3 and a molecular weight of 249.74 g/mol. Its IUPAC name is 3-chloro-2-(piperazin-1-ylmethyl)-1H-indole.

Molecular Properties

Compound Name3-chloro-2-(piperazin-1-ylmethyl)-1H-indole
PubChem CID82511748
Molecular FormulaC13H16ClN3
Molecular Weight249.74 g/mol
Exact Mass249.10
IUPAC Name3-chloro-2-(piperazin-1-ylmethyl)-1H-indole
SMILESClc1c(CN2CCNCC2)[nH]c2ccccc12
InChIInChI=1S/C13H16ClN3/c14-13-10-3-1-2-4-11(10)16-12(13)9-17-7-5-15-6-8-17/h1-4,15-16H,5-9H2
InChIKeyBNBMKYNVTBIMAL-UHFFFAOYSA-N
XLogP2.23
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,6-dichlorophenyl)methyl]piperazine
CID 770796
5-[1-[(3-chloro-1H-indol-2-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 131892778
N-[1-[(3-chloro-1H-indol-2-yl)methyl]-4-(4-fluorophenyl)piperidin-4-yl]acetamide
CID 16673789
azane;1-benzylpiperazine
CID 174866973
4-[(3-chloro-1H-indol-2-yl)methyl]-N,N-dimethylmorpholine-2-carboxamide
CID 131947858
5-ethyl-3-methyl-2-(piperazin-1-ylmethyl)-1H-indole
CID 84636727
2-methyl-3-(2-piperazin-1-ylethyl)-1H-indole
CID 82279050
2-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-3-methyl-1H-indole
CID 69433637
(3S,8aS)-2-[(3-chloro-1H-indol-2-yl)methyl]-3-methyl-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one
CID 137344874
1-(3-chloro-1H-indol-2-yl)propan-2-amine;hydrochloride
CID 170893856
4-(piperazin-1-ylmethyl)naphthalen-1-ol
CID 82263156
1-[(2-chloro-3-pyridinyl)methyl]piperazine
CID 62471076

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(piperazin-1-ylmethyl)-1H-indole?
The IUPAC name of 3-chloro-2-(piperazin-1-ylmethyl)-1H-indole (CID 82511748) is 3-chloro-2-(piperazin-1-ylmethyl)-1H-indole.
What is the SMILES notation for 3-chloro-2-(piperazin-1-ylmethyl)-1H-indole?
The canonical SMILES for 3-chloro-2-(piperazin-1-ylmethyl)-1H-indole is Clc1c(CN2CCNCC2)[nH]c2ccccc12.
What is the InChIKey of 3-chloro-2-(piperazin-1-ylmethyl)-1H-indole?
The InChIKey is BNBMKYNVTBIMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c14-13-10-3-1-2-4-11(10)16-12(13)9-17-7-5-15-6-8-17/h1-4,15-16H,5-9H2.
What are the key properties of 3-chloro-2-(piperazin-1-ylmethyl)-1H-indole?
3-chloro-2-(piperazin-1-ylmethyl)-1H-indole has a molecular weight of 249.74 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(piperazin-1-ylmethyl)-1H-indole is sourced from PubChem (CID 82511748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).