tert-butyl 4-(6-chloro-1H-indol-3-yl)piperidine-1-carboxylate

C18H23ClN2O2 — CID 12072041

IUPACtert-butyl 4-(6-chloro-1H-indol-3-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2c[nH]c3cc(Cl)ccc23)CC1
InChIInChI=1S/C18H23ClN2O2/c1-18(2,3)23-17(22)21-8-6-12(7-9-21)15-11-20-16-10-13(19)4-5-14(15)16/h4-5,10-12,20H,6-9H2,1-3H3
InChIKeyRFTUUYHWZPWIPQ-UHFFFAOYSA-N
MW334.85 g/mol
LogP4.94
Rot. Bonds1

About tert-butyl 4-(6-chloro-1H-indol-3-yl)piperidine-1-carboxylate

tert-butyl 4-(6-chloro-1H-indol-3-yl)piperidine-1-carboxylate (PubChem CID 12072041) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is tert-butyl 4-(6-chloro-1H-indol-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(6-chloro-1H-indol-3-yl)piperidine-1-carboxylate
PubChem CID12072041
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC Nametert-butyl 4-(6-chloro-1H-indol-3-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2c[nH]c3cc(Cl)ccc23)CC1
InChIInChI=1S/C18H23ClN2O2/c1-18(2,3)23-17(22)21-8-6-12(7-9-21)15-11-20-16-10-13(19)4-5-14(15)16/h4-5,10-12,20H,6-9H2,1-3H3
InChIKeyRFTUUYHWZPWIPQ-UHFFFAOYSA-N
XLogP4.94
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze tert-butyl 4-(6-chloro-1H-indol-3-yl)piperidine-1-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(6-chloro-1H-indol-3-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(6-chloro-1H-indol-3-yl)piperidine-1-carboxylate (CID 12072041) is tert-butyl 4-(6-chloro-1H-indol-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(6-chloro-1H-indol-3-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(6-chloro-1H-indol-3-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2c[nH]c3cc(Cl)ccc23)CC1.
What is the InChIKey of tert-butyl 4-(6-chloro-1H-indol-3-yl)piperidine-1-carboxylate?
The InChIKey is RFTUUYHWZPWIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O2/c1-18(2,3)23-17(22)21-8-6-12(7-9-21)15-11-20-16-10-13(19)4-5-14(15)16/h4-5,10-12,20H,6-9H2,1-3H3.
What are the key properties of tert-butyl 4-(6-chloro-1H-indol-3-yl)piperidine-1-carboxylate?
tert-butyl 4-(6-chloro-1H-indol-3-yl)piperidine-1-carboxylate has a molecular weight of 334.85 g/mol, XLogP of 4.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(6-chloro-1H-indol-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 12072041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).