(1S)-4-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride

C13H18ClFN2 — CID 169080151

IUPAC(1S)-4-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride
SMILESCl.N[C@@H]1c2cccc(F)c2CC12CCNCC2
InChIInChI=1S/C13H17FN2.ClH/c14-11-3-1-2-9-10(11)8-13(12(9)15)4-6-16-7-5-13;/h1-3,12,16H,4-8,15H2;1H/t12-;/m1./s1
InChIKeyXATCPSCWUQYVBB-UTONKHPSSA-N
MW256.75 g/mol
LogP2.17
Rot. Bonds

About (1S)-4-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride

(1S)-4-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride (PubChem CID 169080151) has the molecular formula C13H18ClFN2 and a molecular weight of 256.75 g/mol. Its IUPAC name is (1S)-4-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-4-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride
PubChem CID169080151
Molecular FormulaC13H18ClFN2
Molecular Weight256.75 g/mol
Exact Mass256.11
IUPAC Name(1S)-4-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride
SMILESCl.N[C@@H]1c2cccc(F)c2CC12CCNCC2
InChIInChI=1S/C13H17FN2.ClH/c14-11-3-1-2-9-10(11)8-13(12(9)15)4-6-16-7-5-13;/h1-3,12,16H,4-8,15H2;1H/t12-;/m1./s1
InChIKeyXATCPSCWUQYVBB-UTONKHPSSA-N
XLogP2.17
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.75
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-4-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride?
The IUPAC name of (1S)-4-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride (CID 169080151) is (1S)-4-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride.
What is the SMILES notation for (1S)-4-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride?
The canonical SMILES for (1S)-4-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride is Cl.N[C@@H]1c2cccc(F)c2CC12CCNCC2.
What is the InChIKey of (1S)-4-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride?
The InChIKey is XATCPSCWUQYVBB-UTONKHPSSA-N. The full InChI is InChI=1S/C13H17FN2.ClH/c14-11-3-1-2-9-10(11)8-13(12(9)15)4-6-16-7-5-13;/h1-3,12,16H,4-8,15H2;1H/t12-;/m1./s1.
What are the key properties of (1S)-4-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride?
(1S)-4-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride has a molecular weight of 256.75 g/mol, XLogP of 2.17, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride is sourced from PubChem (CID 169080151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).