7-chloro-4-fluoro-3-methyl-2-piperidin-3-yl-1H-indole

C14H16ClFN2 — CID 67536330

IUPAC7-chloro-4-fluoro-3-methyl-2-piperidin-3-yl-1H-indole
SMILESCc1c(C2CCCNC2)[nH]c2c(Cl)ccc(F)c12
InChIInChI=1S/C14H16ClFN2/c1-8-12-11(16)5-4-10(15)14(12)18-13(8)9-3-2-6-17-7-9/h4-5,9,17-18H,2-3,6-7H2,1H3
InChIKeySOIBOUIVKJYTON-UHFFFAOYSA-N
MW266.75 g/mol
LogP3.74
Rot. Bonds1

About 7-chloro-4-fluoro-3-methyl-2-piperidin-3-yl-1H-indole

7-chloro-4-fluoro-3-methyl-2-piperidin-3-yl-1H-indole (PubChem CID 67536330) has the molecular formula C14H16ClFN2 and a molecular weight of 266.75 g/mol. Its IUPAC name is 7-chloro-4-fluoro-3-methyl-2-piperidin-3-yl-1H-indole.

Molecular Properties

Compound Name7-chloro-4-fluoro-3-methyl-2-piperidin-3-yl-1H-indole
PubChem CID67536330
Molecular FormulaC14H16ClFN2
Molecular Weight266.75 g/mol
Exact Mass266.10
IUPAC Name7-chloro-4-fluoro-3-methyl-2-piperidin-3-yl-1H-indole
SMILESCc1c(C2CCCNC2)[nH]c2c(Cl)ccc(F)c12
InChIInChI=1S/C14H16ClFN2/c1-8-12-11(16)5-4-10(15)14(12)18-13(8)9-3-2-6-17-7-9/h4-5,9,17-18H,2-3,6-7H2,1H3
InChIKeySOIBOUIVKJYTON-UHFFFAOYSA-N
XLogP3.74
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3,4,7-trimethyl-2-piperidin-3-yl-1H-indole
CID 84630586
7-chloro-4-fluoro-2-piperidin-3-yl-1H-indole
CID 67535322
5,6-difluoro-3-methyl-2-piperidin-3-yl-1H-indole
CID 91174939
(3S)-3-(2,5-dichlorophenyl)piperidine
CID 93478490
3-bromo-7-chloro-2-piperidin-3-yl-1H-indole
CID 84645512
3-bromo-7-fluoro-2-piperidin-3-yl-1H-indole
CID 84644364
4-chloro-7-methoxy-3-piperidin-3-yl-1H-indole
CID 84639760
(3R)-3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 125171992
3-(2-chloro-4,6-dimethylphenyl)piperidine
CID 84789545
(3S)-3-(5-bromo-2-chlorophenyl)piperidine
CID 130619016
(3R)-3-(2,3-difluorophenyl)piperidine
CID 93478481
3-(3-chloro-5-fluorophenyl)piperidine
CID 24904336

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-fluoro-3-methyl-2-piperidin-3-yl-1H-indole?
The IUPAC name of 7-chloro-4-fluoro-3-methyl-2-piperidin-3-yl-1H-indole (CID 67536330) is 7-chloro-4-fluoro-3-methyl-2-piperidin-3-yl-1H-indole.
What is the SMILES notation for 7-chloro-4-fluoro-3-methyl-2-piperidin-3-yl-1H-indole?
The canonical SMILES for 7-chloro-4-fluoro-3-methyl-2-piperidin-3-yl-1H-indole is Cc1c(C2CCCNC2)[nH]c2c(Cl)ccc(F)c12.
What is the InChIKey of 7-chloro-4-fluoro-3-methyl-2-piperidin-3-yl-1H-indole?
The InChIKey is SOIBOUIVKJYTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2/c1-8-12-11(16)5-4-10(15)14(12)18-13(8)9-3-2-6-17-7-9/h4-5,9,17-18H,2-3,6-7H2,1H3.
What are the key properties of 7-chloro-4-fluoro-3-methyl-2-piperidin-3-yl-1H-indole?
7-chloro-4-fluoro-3-methyl-2-piperidin-3-yl-1H-indole has a molecular weight of 266.75 g/mol, XLogP of 3.74, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-fluoro-3-methyl-2-piperidin-3-yl-1H-indole is sourced from PubChem (CID 67536330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).