butyl 4-(6-fluoro-2,3-dihydro-1H-indol-5-yl)piperidine-1-carboxylate

C18H25FN2O2 — CID 175962225

IUPACbutyl 4-(6-fluoro-2,3-dihydro-1H-indol-5-yl)piperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC(c2cc3c(cc2F)NCC3)CC1
InChIInChI=1S/C18H25FN2O2/c1-2-3-10-23-18(22)21-8-5-13(6-9-21)15-11-14-4-7-20-17(14)12-16(15)19/h11-13,20H,2-10H2,1H3
InChIKeyLJWXDNHZNVOGPM-UHFFFAOYSA-N
MW320.41 g/mol
LogP3.91
Rot. Bonds4

About butyl 4-(6-fluoro-2,3-dihydro-1H-indol-5-yl)piperidine-1-carboxylate

butyl 4-(6-fluoro-2,3-dihydro-1H-indol-5-yl)piperidine-1-carboxylate (PubChem CID 175962225) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is butyl 4-(6-fluoro-2,3-dihydro-1H-indol-5-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebutyl 4-(6-fluoro-2,3-dihydro-1H-indol-5-yl)piperidine-1-carboxylate
PubChem CID175962225
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC Namebutyl 4-(6-fluoro-2,3-dihydro-1H-indol-5-yl)piperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC(c2cc3c(cc2F)NCC3)CC1
InChIInChI=1S/C18H25FN2O2/c1-2-3-10-23-18(22)21-8-5-13(6-9-21)15-11-14-4-7-20-17(14)12-16(15)19/h11-13,20H,2-10H2,1H3
InChIKeyLJWXDNHZNVOGPM-UHFFFAOYSA-N
XLogP3.91
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butyl 4-(6-fluoro-2,3-dihydro-1H-indol-5-yl)piperidine-1-carboxylate?
The IUPAC name of butyl 4-(6-fluoro-2,3-dihydro-1H-indol-5-yl)piperidine-1-carboxylate (CID 175962225) is butyl 4-(6-fluoro-2,3-dihydro-1H-indol-5-yl)piperidine-1-carboxylate.
What is the SMILES notation for butyl 4-(6-fluoro-2,3-dihydro-1H-indol-5-yl)piperidine-1-carboxylate?
The canonical SMILES for butyl 4-(6-fluoro-2,3-dihydro-1H-indol-5-yl)piperidine-1-carboxylate is CCCCOC(=O)N1CCC(c2cc3c(cc2F)NCC3)CC1.
What is the InChIKey of butyl 4-(6-fluoro-2,3-dihydro-1H-indol-5-yl)piperidine-1-carboxylate?
The InChIKey is LJWXDNHZNVOGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-2-3-10-23-18(22)21-8-5-13(6-9-21)15-11-14-4-7-20-17(14)12-16(15)19/h11-13,20H,2-10H2,1H3.
What are the key properties of butyl 4-(6-fluoro-2,3-dihydro-1H-indol-5-yl)piperidine-1-carboxylate?
butyl 4-(6-fluoro-2,3-dihydro-1H-indol-5-yl)piperidine-1-carboxylate has a molecular weight of 320.41 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-(6-fluoro-2,3-dihydro-1H-indol-5-yl)piperidine-1-carboxylate is sourced from PubChem (CID 175962225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).