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

C52H60Cl2F2N8 — CID 159653206

IUPAC4-chloro-3-piperidin-4-yl-1H-indole;5-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.Clc1cccc2[nH]cc(C3CCNCC3)c12.Fc1ccc2[nH]cc(C3CCNCC3)c2c1.Fc1cccc2[nH]cc(C3CCNCC3)c12
InChIInChI=1S/2C13H15ClN2.2C13H15FN2/c14-10-1-2-13-11(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;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/h1-2,7-9,15-16H,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
InChIKeyMRVLGUUCWJBORD-UHFFFAOYSA-N
MW906.01 g/mol
LogP12.12
Rot. Bonds4

About 4-chloro-3-piperidin-4-yl-1H-indole;5-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;4-fluoro-3-piperidin-4-yl-1H-indole;5-fluoro-3-piperidin-4-yl-1H-indole (PubChem CID 159653206) has the molecular formula C52H60Cl2F2N8 and a molecular weight of 906.01 g/mol. Its IUPAC name is 4-chloro-3-piperidin-4-yl-1H-indole;5-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;4-fluoro-3-piperidin-4-yl-1H-indole;5-fluoro-3-piperidin-4-yl-1H-indole
PubChem CID159653206
Molecular FormulaC52H60Cl2F2N8
Molecular Weight906.01 g/mol
Exact Mass904.43
IUPAC Name4-chloro-3-piperidin-4-yl-1H-indole;5-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.Clc1cccc2[nH]cc(C3CCNCC3)c12.Fc1ccc2[nH]cc(C3CCNCC3)c2c1.Fc1cccc2[nH]cc(C3CCNCC3)c12
InChIInChI=1S/2C13H15ClN2.2C13H15FN2/c14-10-1-2-13-11(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;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/h1-2,7-9,15-16H,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
InChIKeyMRVLGUUCWJBORD-UHFFFAOYSA-N
XLogP12.12
TPSA111.28 Ų
H-Bond Donors8
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500906.01
LogP ≤ 512.12
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 104

Analyze 4-chloro-3-piperidin-4-yl-1H-indole;5-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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[5-[bis(5-fluoro-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-fluoro-1H-indol-3-yl)methyl]-5-fluoro-1H-indole
CID 127035573
3-[[6-[bis(5-fluoro-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-fluoro-1H-indol-3-yl)methyl]-5-fluoro-1H-indole
CID 127035751
3-[[6-[bis(5-chloro-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-chloro-1H-indol-3-yl)methyl]-5-chloro-1H-indole
CID 127035942
3-[[5-[bis(5-chloro-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-chloro-1H-indol-3-yl)methyl]-5-chloro-1H-indole
CID 127036137
(1S,4S)-6-chloro-1,4-bis(5-chloro-1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole
CID 127039182
Bis(4-chloroindol-3-yl)-(2,4-difluorophenyl)methane
CID 10137327
5-chloro-3-[4-(5-chloro-1H-indol-3-yl)-1H-pyrrol-3-yl]-6-fluoro-1H-indole
CID 71101543
(2Z,4Z)-2-(5-chloro-1H-indol-3-yl)-5-(5-fluoro-1H-indol-3-yl)-3,4-dipyridin-3-ylhexa-2,4-dienedinitrile
CID 87428589
3-(5-chloro-1H-indol-3-yl)-2-(5-fluoro-1H-indol-3-yl)-4-(1H-indol-4-yl)-1-methylindole
CID 141368888
[4-(6-chloro-5-fluoro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-lambda6-sulfane;[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-lambda6-sulfane;[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-lambda6-sulfane;5,6-difluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;methyl-methylidene-oxo-[4-[5-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]-lambda6-sulfane
CID 157136724
3-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloro-2-methyl-1H-indole;3-(1-azabicyclo[2.2.2]octan-3-yl)-5-fluoro-2-methyl-1H-indole;3-(1-azabicyclo[2.2.2]octan-3-yl)-2-methyl-5-(trifluoromethyl)-1H-indole
CID 158054305
3-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloro-1H-indole;3-(1-azabicyclo[2.2.2]octan-3-yl)-5-fluoro-1H-indole;3-(1-azabicyclo[2.2.2]octan-3-yl)-5-methylsulfanyl-1H-indole;3-(1-azabicyclo[2.2.2]octan-3-yl)-5-(trifluoromethyl)-1H-indole
CID 158569900

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;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;4-fluoro-3-piperidin-4-yl-1H-indole;5-fluoro-3-piperidin-4-yl-1H-indole (CID 159653206) is 4-chloro-3-piperidin-4-yl-1H-indole;5-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;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;4-fluoro-3-piperidin-4-yl-1H-indole;5-fluoro-3-piperidin-4-yl-1H-indole is Clc1ccc2[nH]cc(C3CCNCC3)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;4-fluoro-3-piperidin-4-yl-1H-indole;5-fluoro-3-piperidin-4-yl-1H-indole?
The InChIKey is MRVLGUUCWJBORD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H15ClN2.2C13H15FN2/c14-10-1-2-13-11(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;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/h1-2,7-9,15-16H,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;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;4-fluoro-3-piperidin-4-yl-1H-indole;5-fluoro-3-piperidin-4-yl-1H-indole has a molecular weight of 906.01 g/mol, XLogP of 12.12, 4 rotatable bonds, 8 hydrogen bond donors, and 4 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;4-fluoro-3-piperidin-4-yl-1H-indole;5-fluoro-3-piperidin-4-yl-1H-indole is sourced from PubChem (CID 159653206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).