tert-butyl 3-(6-chloro-2,3-dihydro-1H-indol-2-yl)piperidine-1-carboxylate

C18H25ClN2O2 — CID 70223224

IUPACtert-butyl 3-(6-chloro-2,3-dihydro-1H-indol-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(C2Cc3ccc(Cl)cc3N2)C1
InChIInChI=1S/C18H25ClN2O2/c1-18(2,3)23-17(22)21-8-4-5-13(11-21)15-9-12-6-7-14(19)10-16(12)20-15/h6-7,10,13,15,20H,4-5,8-9,11H2,1-3H3
InChIKeyMIZYOTFSKOAAMD-UHFFFAOYSA-N
MW336.86 g/mol
LogP4.32
Rot. Bonds1

About tert-butyl 3-(6-chloro-2,3-dihydro-1H-indol-2-yl)piperidine-1-carboxylate

tert-butyl 3-(6-chloro-2,3-dihydro-1H-indol-2-yl)piperidine-1-carboxylate (PubChem CID 70223224) has the molecular formula C18H25ClN2O2 and a molecular weight of 336.86 g/mol. Its IUPAC name is tert-butyl 3-(6-chloro-2,3-dihydro-1H-indol-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(6-chloro-2,3-dihydro-1H-indol-2-yl)piperidine-1-carboxylate
PubChem CID70223224
Molecular FormulaC18H25ClN2O2
Molecular Weight336.86 g/mol
Exact Mass336.16
IUPAC Nametert-butyl 3-(6-chloro-2,3-dihydro-1H-indol-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(C2Cc3ccc(Cl)cc3N2)C1
InChIInChI=1S/C18H25ClN2O2/c1-18(2,3)23-17(22)21-8-4-5-13(11-21)15-9-12-6-7-14(19)10-16(12)20-15/h6-7,10,13,15,20H,4-5,8-9,11H2,1-3H3
InChIKeyMIZYOTFSKOAAMD-UHFFFAOYSA-N
XLogP4.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(6-chloro-2,3-dihydro-1H-indol-2-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(6-chloro-2,3-dihydro-1H-indol-2-yl)piperidine-1-carboxylate (CID 70223224) is tert-butyl 3-(6-chloro-2,3-dihydro-1H-indol-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(6-chloro-2,3-dihydro-1H-indol-2-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(6-chloro-2,3-dihydro-1H-indol-2-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(C2Cc3ccc(Cl)cc3N2)C1.
What is the InChIKey of tert-butyl 3-(6-chloro-2,3-dihydro-1H-indol-2-yl)piperidine-1-carboxylate?
The InChIKey is MIZYOTFSKOAAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O2/c1-18(2,3)23-17(22)21-8-4-5-13(11-21)15-9-12-6-7-14(19)10-16(12)20-15/h6-7,10,13,15,20H,4-5,8-9,11H2,1-3H3.
What are the key properties of tert-butyl 3-(6-chloro-2,3-dihydro-1H-indol-2-yl)piperidine-1-carboxylate?
tert-butyl 3-(6-chloro-2,3-dihydro-1H-indol-2-yl)piperidine-1-carboxylate has a molecular weight of 336.86 g/mol, XLogP of 4.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(6-chloro-2,3-dihydro-1H-indol-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 70223224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).