4,6-dichloro-3-piperidin-3-yl-1H-indole

C13H14Cl2N2 — CID 82212349

IUPAC4,6-dichloro-3-piperidin-3-yl-1H-indole
SMILESClc1cc(Cl)c2c(C3CCCNC3)c[nH]c2c1
InChIInChI=1S/C13H14Cl2N2/c14-9-4-11(15)13-10(7-17-12(13)5-9)8-2-1-3-16-6-8/h4-5,7-8,16-17H,1-3,6H2
InChIKeyFBHFCEJEZSNOGP-UHFFFAOYSA-N
MW269.17 g/mol
LogP3.94
Rot. Bonds1

About 4,6-dichloro-3-piperidin-3-yl-1H-indole

4,6-dichloro-3-piperidin-3-yl-1H-indole (PubChem CID 82212349) has the molecular formula C13H14Cl2N2 and a molecular weight of 269.17 g/mol. Its IUPAC name is 4,6-dichloro-3-piperidin-3-yl-1H-indole.

Molecular Properties

Compound Name4,6-dichloro-3-piperidin-3-yl-1H-indole
PubChem CID82212349
Molecular FormulaC13H14Cl2N2
Molecular Weight269.17 g/mol
Exact Mass268.05
IUPAC Name4,6-dichloro-3-piperidin-3-yl-1H-indole
SMILESClc1cc(Cl)c2c(C3CCCNC3)c[nH]c2c1
InChIInChI=1S/C13H14Cl2N2/c14-9-4-11(15)13-10(7-17-12(13)5-9)8-2-1-3-16-6-8/h4-5,7-8,16-17H,1-3,6H2
InChIKeyFBHFCEJEZSNOGP-UHFFFAOYSA-N
XLogP3.94
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.17
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-3-(2,5-dichlorophenyl)piperidine
CID 93478490
4-chloro-7-methoxy-3-piperidin-3-yl-1H-indole
CID 84639760
3-(2,3-dichlorophenyl)piperidine
CID 24904244
5-methyl-3-piperidin-3-yl-1H-indole
CID 54857111
6-fluoro-3-piperidin-3-yl-1H-indole
CID 54857103
2,5-dichloro-4-piperidin-3-ylpyridine
CID 84694263
4-chloro-3-piperidin-3-ylphenol
CID 84678781
(3R)-3-(4-bromo-2-chlorophenyl)piperidine
CID 130852856
4-chloro-3-piperidin-4-yl-1H-indole
CID 22484023
(3S)-3-(5-bromo-2-chlorophenyl)piperidine
CID 130619016
3-chloro-4-piperidin-3-ylphenol
CID 82612870
4-phenylmethoxy-3-piperidin-3-yl-1H-indole
CID 82212323

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-3-piperidin-3-yl-1H-indole?
The IUPAC name of 4,6-dichloro-3-piperidin-3-yl-1H-indole (CID 82212349) is 4,6-dichloro-3-piperidin-3-yl-1H-indole.
What is the SMILES notation for 4,6-dichloro-3-piperidin-3-yl-1H-indole?
The canonical SMILES for 4,6-dichloro-3-piperidin-3-yl-1H-indole is Clc1cc(Cl)c2c(C3CCCNC3)c[nH]c2c1.
What is the InChIKey of 4,6-dichloro-3-piperidin-3-yl-1H-indole?
The InChIKey is FBHFCEJEZSNOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2/c14-9-4-11(15)13-10(7-17-12(13)5-9)8-2-1-3-16-6-8/h4-5,7-8,16-17H,1-3,6H2.
What are the key properties of 4,6-dichloro-3-piperidin-3-yl-1H-indole?
4,6-dichloro-3-piperidin-3-yl-1H-indole has a molecular weight of 269.17 g/mol, XLogP of 3.94, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-3-piperidin-3-yl-1H-indole is sourced from PubChem (CID 82212349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).