4-chloro-3-piperidin-4-yl-1H-indole;5-chloro-3-piperidin-4-yl-1H-indole;6-chloro-3-piperidin-4-yl-1H-indole;4-fluoro-3-piperidin-4-yl-1H-indole;5-fluoro-3-piperidin-4-yl-1H-indole

C65H75Cl3F2N10 — CID 157358599

IUPAC4-chloro-3-piperidin-4-yl-1H-indole;5-chloro-3-piperidin-4-yl-1H-indole;6-chloro-3-piperidin-4-yl-1H-indole;4-fluoro-3-piperidin-4-yl-1H-indole;5-fluoro-3-piperidin-4-yl-1H-indole
SMILESClc1ccc2[nH]cc(C3CCNCC3)c2c1.Clc1ccc2c(C3CCNCC3)c[nH]c2c1.Clc1cccc2[nH]cc(C3CCNCC3)c12.Fc1ccc2[nH]cc(C3CCNCC3)c2c1.Fc1cccc2[nH]cc(C3CCNCC3)c12
InChIInChI=1S/3C13H15ClN2.2C13H15FN2/c14-10-1-2-13-11(7-10)12(8-16-13)9-3-5-15-6-4-9;14-10-1-2-11-12(8-16-13(11)7-10)9-3-5-15-6-4-9;14-11-2-1-3-12-13(11)10(8-16-12)9-4-6-15-7-5-9;14-10-1-2-13-11(7-10)12(8-16-13)9-3-5-15-6-4-9;14-11-2-1-3-12-13(11)10(8-16-12)9-4-6-15-7-5-9/h2*1-2,7-9,15-16H,3-6H2;1-3,8-9,15-16H,4-7H2;1-2,7-9,15-16H,3-6H2;1-3,8-9,15-16H,4-7H2
InChIKeyBIJJFCJXVCPSAK-UHFFFAOYSA-N
MW1140.74 g/mol
LogP15.41
Rot. Bonds5

About 4-chloro-3-piperidin-4-yl-1H-indole;5-chloro-3-piperidin-4-yl-1H-indole;6-chloro-3-piperidin-4-yl-1H-indole;4-fluoro-3-piperidin-4-yl-1H-indole;5-fluoro-3-piperidin-4-yl-1H-indole

4-chloro-3-piperidin-4-yl-1H-indole;5-chloro-3-piperidin-4-yl-1H-indole;6-chloro-3-piperidin-4-yl-1H-indole;4-fluoro-3-piperidin-4-yl-1H-indole;5-fluoro-3-piperidin-4-yl-1H-indole (PubChem CID 157358599) has the molecular formula C65H75Cl3F2N10 and a molecular weight of 1140.74 g/mol. Its IUPAC name is 4-chloro-3-piperidin-4-yl-1H-indole;5-chloro-3-piperidin-4-yl-1H-indole;6-chloro-3-piperidin-4-yl-1H-indole;4-fluoro-3-piperidin-4-yl-1H-indole;5-fluoro-3-piperidin-4-yl-1H-indole.

Molecular Properties

Compound Name4-chloro-3-piperidin-4-yl-1H-indole;5-chloro-3-piperidin-4-yl-1H-indole;6-chloro-3-piperidin-4-yl-1H-indole;4-fluoro-3-piperidin-4-yl-1H-indole;5-fluoro-3-piperidin-4-yl-1H-indole
PubChem CID157358599
Molecular FormulaC65H75Cl3F2N10
Molecular Weight1140.74 g/mol
Exact Mass1138.52
IUPAC Name4-chloro-3-piperidin-4-yl-1H-indole;5-chloro-3-piperidin-4-yl-1H-indole;6-chloro-3-piperidin-4-yl-1H-indole;4-fluoro-3-piperidin-4-yl-1H-indole;5-fluoro-3-piperidin-4-yl-1H-indole
SMILESClc1ccc2[nH]cc(C3CCNCC3)c2c1.Clc1ccc2c(C3CCNCC3)c[nH]c2c1.Clc1cccc2[nH]cc(C3CCNCC3)c12.Fc1ccc2[nH]cc(C3CCNCC3)c2c1.Fc1cccc2[nH]cc(C3CCNCC3)c12
InChIInChI=1S/3C13H15ClN2.2C13H15FN2/c14-10-1-2-13-11(7-10)12(8-16-13)9-3-5-15-6-4-9;14-10-1-2-11-12(8-16-13(11)7-10)9-3-5-15-6-4-9;14-11-2-1-3-12-13(11)10(8-16-12)9-4-6-15-7-5-9;14-10-1-2-13-11(7-10)12(8-16-13)9-3-5-15-6-4-9;14-11-2-1-3-12-13(11)10(8-16-12)9-4-6-15-7-5-9/h2*1-2,7-9,15-16H,3-6H2;1-3,8-9,15-16H,4-7H2;1-2,7-9,15-16H,3-6H2;1-3,8-9,15-16H,4-7H2
InChIKeyBIJJFCJXVCPSAK-UHFFFAOYSA-N
XLogP15.41
TPSA139.10 Ų
H-Bond Donors10
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001140.74
LogP ≤ 515.41
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 105

Analyze 4-chloro-3-piperidin-4-yl-1H-indole;5-chloro-3-piperidin-4-yl-1H-indole;6-chloro-3-piperidin-4-yl-1H-indole;4-fluoro-3-piperidin-4-yl-1H-indole;5-fluoro-3-piperidin-4-yl-1H-indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-piperidin-4-yl-1H-indole;5-chloro-3-piperidin-4-yl-1H-indole;6-chloro-3-piperidin-4-yl-1H-indole;4-fluoro-3-piperidin-4-yl-1H-indole;5-fluoro-3-piperidin-4-yl-1H-indole?
The IUPAC name of 4-chloro-3-piperidin-4-yl-1H-indole;5-chloro-3-piperidin-4-yl-1H-indole;6-chloro-3-piperidin-4-yl-1H-indole;4-fluoro-3-piperidin-4-yl-1H-indole;5-fluoro-3-piperidin-4-yl-1H-indole (CID 157358599) is 4-chloro-3-piperidin-4-yl-1H-indole;5-chloro-3-piperidin-4-yl-1H-indole;6-chloro-3-piperidin-4-yl-1H-indole;4-fluoro-3-piperidin-4-yl-1H-indole;5-fluoro-3-piperidin-4-yl-1H-indole.
What is the SMILES notation for 4-chloro-3-piperidin-4-yl-1H-indole;5-chloro-3-piperidin-4-yl-1H-indole;6-chloro-3-piperidin-4-yl-1H-indole;4-fluoro-3-piperidin-4-yl-1H-indole;5-fluoro-3-piperidin-4-yl-1H-indole?
The canonical SMILES for 4-chloro-3-piperidin-4-yl-1H-indole;5-chloro-3-piperidin-4-yl-1H-indole;6-chloro-3-piperidin-4-yl-1H-indole;4-fluoro-3-piperidin-4-yl-1H-indole;5-fluoro-3-piperidin-4-yl-1H-indole is Clc1ccc2[nH]cc(C3CCNCC3)c2c1.Clc1ccc2c(C3CCNCC3)c[nH]c2c1.Clc1cccc2[nH]cc(C3CCNCC3)c12.Fc1ccc2[nH]cc(C3CCNCC3)c2c1.Fc1cccc2[nH]cc(C3CCNCC3)c12.
What is the InChIKey of 4-chloro-3-piperidin-4-yl-1H-indole;5-chloro-3-piperidin-4-yl-1H-indole;6-chloro-3-piperidin-4-yl-1H-indole;4-fluoro-3-piperidin-4-yl-1H-indole;5-fluoro-3-piperidin-4-yl-1H-indole?
The InChIKey is BIJJFCJXVCPSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C13H15ClN2.2C13H15FN2/c14-10-1-2-13-11(7-10)12(8-16-13)9-3-5-15-6-4-9;14-10-1-2-11-12(8-16-13(11)7-10)9-3-5-15-6-4-9;14-11-2-1-3-12-13(11)10(8-16-12)9-4-6-15-7-5-9;14-10-1-2-13-11(7-10)12(8-16-13)9-3-5-15-6-4-9;14-11-2-1-3-12-13(11)10(8-16-12)9-4-6-15-7-5-9/h2*1-2,7-9,15-16H,3-6H2;1-3,8-9,15-16H,4-7H2;1-2,7-9,15-16H,3-6H2;1-3,8-9,15-16H,4-7H2.
What are the key properties of 4-chloro-3-piperidin-4-yl-1H-indole;5-chloro-3-piperidin-4-yl-1H-indole;6-chloro-3-piperidin-4-yl-1H-indole;4-fluoro-3-piperidin-4-yl-1H-indole;5-fluoro-3-piperidin-4-yl-1H-indole?
4-chloro-3-piperidin-4-yl-1H-indole;5-chloro-3-piperidin-4-yl-1H-indole;6-chloro-3-piperidin-4-yl-1H-indole;4-fluoro-3-piperidin-4-yl-1H-indole;5-fluoro-3-piperidin-4-yl-1H-indole has a molecular weight of 1140.74 g/mol, XLogP of 15.41, 5 rotatable bonds, 10 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-piperidin-4-yl-1H-indole;5-chloro-3-piperidin-4-yl-1H-indole;6-chloro-3-piperidin-4-yl-1H-indole;4-fluoro-3-piperidin-4-yl-1H-indole;5-fluoro-3-piperidin-4-yl-1H-indole is sourced from PubChem (CID 157358599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).