(5-chloro-6-fluoro-1H-indol-3-yl) piperidine-1-carboxylate

C14H14ClFN2O2 — CID 150983227

IUPAC(5-chloro-6-fluoro-1H-indol-3-yl) piperidine-1-carboxylate
SMILESO=C(Oc1c[nH]c2cc(F)c(Cl)cc12)N1CCCCC1
InChIInChI=1S/C14H14ClFN2O2/c15-10-6-9-12(7-11(10)16)17-8-13(9)20-14(19)18-4-2-1-3-5-18/h6-8,17H,1-5H2
InChIKeyLQNOBTLWVQWLAQ-UHFFFAOYSA-N
MW296.73 g/mol
LogP3.95
Rot. Bonds1

About (5-chloro-6-fluoro-1H-indol-3-yl) piperidine-1-carboxylate

(5-chloro-6-fluoro-1H-indol-3-yl) piperidine-1-carboxylate (PubChem CID 150983227) has the molecular formula C14H14ClFN2O2 and a molecular weight of 296.73 g/mol. Its IUPAC name is (5-chloro-6-fluoro-1H-indol-3-yl) piperidine-1-carboxylate.

Molecular Properties

Compound Name(5-chloro-6-fluoro-1H-indol-3-yl) piperidine-1-carboxylate
PubChem CID150983227
Molecular FormulaC14H14ClFN2O2
Molecular Weight296.73 g/mol
Exact Mass296.07
IUPAC Name(5-chloro-6-fluoro-1H-indol-3-yl) piperidine-1-carboxylate
SMILESO=C(Oc1c[nH]c2cc(F)c(Cl)cc12)N1CCCCC1
InChIInChI=1S/C14H14ClFN2O2/c15-10-6-9-12(7-11(10)16)17-8-13(9)20-14(19)18-4-2-1-3-5-18/h6-8,17H,1-5H2
InChIKeyLQNOBTLWVQWLAQ-UHFFFAOYSA-N
XLogP3.95
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.73
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-chloro-5-[[2-chloro-4-fluoro-5-(piperidine-1-carbonyloxy)phenyl]disulfanyl]-2-fluorophenyl] piperidine-1-carboxylate
CID 155075221
(4-fluorophenyl) piperidine-1-carboxylate
CID 895621
3-bromo-5-chloro-6-fluoro-1H-indole
CID 84706657
2-(6-chloro-1H-indol-3-yl)-2-methyl-1-piperidin-1-ylpropan-1-one
CID 113210447
(4-chloro-2,5-difluorophenyl)-pyrrolidin-1-ylmethanone
CID 82772045
[4-chloro-2-[2-chloro-5-(morpholine-4-carbonyloxy)-4-(piperidine-1-carbonyloxy)benzoyl]phenyl] morpholine-4-carboxylate
CID 153248648
(1-fluoronaphthalen-2-yl) piperidine-1-carboxylate
CID 170622073
(6-fluoro-1H-indol-3-yl)-piperidin-1-ylmethanone
CID 113206150
azepan-1-yl-(6-fluoro-1H-indol-3-yl)methanone
CID 113206230
(2-methyl-5-oxo-1H-pyrazol-4-yl) piperidine-1-carboxylate
CID 156636510
(4-fluoro-1H-pyrrolo[2,3-c]pyridin-5-yl) piperidine-1-carboxylate
CID 175772814
1-(5-chloro-1H-indol-3-yl)-2-piperidin-1-ylethane-1,2-dione
CID 113208208

Frequently Asked Questions

What is the IUPAC name of (5-chloro-6-fluoro-1H-indol-3-yl) piperidine-1-carboxylate?
The IUPAC name of (5-chloro-6-fluoro-1H-indol-3-yl) piperidine-1-carboxylate (CID 150983227) is (5-chloro-6-fluoro-1H-indol-3-yl) piperidine-1-carboxylate.
What is the SMILES notation for (5-chloro-6-fluoro-1H-indol-3-yl) piperidine-1-carboxylate?
The canonical SMILES for (5-chloro-6-fluoro-1H-indol-3-yl) piperidine-1-carboxylate is O=C(Oc1c[nH]c2cc(F)c(Cl)cc12)N1CCCCC1.
What is the InChIKey of (5-chloro-6-fluoro-1H-indol-3-yl) piperidine-1-carboxylate?
The InChIKey is LQNOBTLWVQWLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O2/c15-10-6-9-12(7-11(10)16)17-8-13(9)20-14(19)18-4-2-1-3-5-18/h6-8,17H,1-5H2.
What are the key properties of (5-chloro-6-fluoro-1H-indol-3-yl) piperidine-1-carboxylate?
(5-chloro-6-fluoro-1H-indol-3-yl) piperidine-1-carboxylate has a molecular weight of 296.73 g/mol, XLogP of 3.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-6-fluoro-1H-indol-3-yl) piperidine-1-carboxylate is sourced from PubChem (CID 150983227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).