(3S)-1-tert-butyl-5-fluorospiro[2H-indole-3,3'-piperidine]

C16H23FN2 — CID 58172354

IUPAC(3S)-1-tert-butyl-5-fluorospiro[2H-indole-3,3'-piperidine]
SMILESCC(C)(C)N1C[C@@]2(CCCNC2)c2cc(F)ccc21
InChIInChI=1S/C16H23FN2/c1-15(2,3)19-11-16(7-4-8-18-10-16)13-9-12(17)5-6-14(13)19/h5-6,9,18H,4,7-8,10-11H2,1-3H3/t16-/m0/s1
InChIKeyGAYDNXPMPZNIDI-INIZCTEOSA-N
MW262.37 g/mol
LogP3.07
Rot. Bonds

About (3S)-1-tert-butyl-5-fluorospiro[2H-indole-3,3'-piperidine]

(3S)-1-tert-butyl-5-fluorospiro[2H-indole-3,3'-piperidine] (PubChem CID 58172354) has the molecular formula C16H23FN2 and a molecular weight of 262.37 g/mol. Its IUPAC name is (3S)-1-tert-butyl-5-fluorospiro[2H-indole-3,3'-piperidine].

Molecular Properties

Compound Name(3S)-1-tert-butyl-5-fluorospiro[2H-indole-3,3'-piperidine]
PubChem CID58172354
Molecular FormulaC16H23FN2
Molecular Weight262.37 g/mol
Exact Mass262.18
IUPAC Name(3S)-1-tert-butyl-5-fluorospiro[2H-indole-3,3'-piperidine]
SMILESCC(C)(C)N1C[C@@]2(CCCNC2)c2cc(F)ccc21
InChIInChI=1S/C16H23FN2/c1-15(2,3)19-11-16(7-4-8-18-10-16)13-9-12(17)5-6-14(13)19/h5-6,9,18H,4,7-8,10-11H2,1-3H3/t16-/m0/s1
InChIKeyGAYDNXPMPZNIDI-INIZCTEOSA-N
XLogP3.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-tert-butyl-5-fluorospiro[2H-indole-3,3'-piperidine]?
The IUPAC name of (3S)-1-tert-butyl-5-fluorospiro[2H-indole-3,3'-piperidine] (CID 58172354) is (3S)-1-tert-butyl-5-fluorospiro[2H-indole-3,3'-piperidine].
What is the SMILES notation for (3S)-1-tert-butyl-5-fluorospiro[2H-indole-3,3'-piperidine]?
The canonical SMILES for (3S)-1-tert-butyl-5-fluorospiro[2H-indole-3,3'-piperidine] is CC(C)(C)N1C[C@@]2(CCCNC2)c2cc(F)ccc21.
What is the InChIKey of (3S)-1-tert-butyl-5-fluorospiro[2H-indole-3,3'-piperidine]?
The InChIKey is GAYDNXPMPZNIDI-INIZCTEOSA-N. The full InChI is InChI=1S/C16H23FN2/c1-15(2,3)19-11-16(7-4-8-18-10-16)13-9-12(17)5-6-14(13)19/h5-6,9,18H,4,7-8,10-11H2,1-3H3/t16-/m0/s1.
What are the key properties of (3S)-1-tert-butyl-5-fluorospiro[2H-indole-3,3'-piperidine]?
(3S)-1-tert-butyl-5-fluorospiro[2H-indole-3,3'-piperidine] has a molecular weight of 262.37 g/mol, XLogP of 3.07, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-tert-butyl-5-fluorospiro[2H-indole-3,3'-piperidine] is sourced from PubChem (CID 58172354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).