(5S)-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;trihydrochloride

C12H20Cl3N3 — CID 153482804

IUPAC(5S)-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;trihydrochloride
SMILESCl.Cl.Cl.N[C@@H]1c2cccnc2CC12CCNCC2
InChIInChI=1S/C12H17N3.3ClH/c13-11-9-2-1-5-15-10(9)8-12(11)3-6-14-7-4-12;;;/h1-2,5,11,14H,3-4,6-8,13H2;3*1H/t11-;;;/m1.../s1
InChIKeyFJFDGOQDOCFTPN-HCEFKKQBSA-N
MW312.67 g/mol
LogP2.27
Rot. Bonds

About (5S)-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;trihydrochloride

(5S)-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;trihydrochloride (PubChem CID 153482804) has the molecular formula C12H20Cl3N3 and a molecular weight of 312.67 g/mol. Its IUPAC name is (5S)-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;trihydrochloride.

Molecular Properties

Compound Name(5S)-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;trihydrochloride
PubChem CID153482804
Molecular FormulaC12H20Cl3N3
Molecular Weight312.67 g/mol
Exact Mass311.07
IUPAC Name(5S)-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;trihydrochloride
SMILESCl.Cl.Cl.N[C@@H]1c2cccnc2CC12CCNCC2
InChIInChI=1S/C12H17N3.3ClH/c13-11-9-2-1-5-15-10(9)8-12(11)3-6-14-7-4-12;;;/h1-2,5,11,14H,3-4,6-8,13H2;3*1H/t11-;;;/m1.../s1
InChIKeyFJFDGOQDOCFTPN-HCEFKKQBSA-N
XLogP2.27
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.67
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;dihydrochloride
CID 155165273
(5S)-1'-propan-2-ylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 155623818
(1S)-spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 139512047
(5S)-1'-(4-bromophenyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 146538401
2-methyl-N-[(5S)-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]propane-2-sulfonamide
CID 155796534
(1S)-4-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride
CID 169080151
(1S)-4-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 139512170
1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-4-carbonitrile
CID 139512061
3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one
CID 139525640
3-methylspiro[4,6-dihydrocyclopenta[d]imidazole-5,4'-piperidine]-4-amine
CID 172722506
(5S)-2',4'-dimethylspiro[5,7-dihydrocyclopenta[b]pyridine-6,1'-cyclobutane]-5-amine
CID 167048296
(5S)-1'-[5-[(3,5-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 155385247

Frequently Asked Questions

What is the IUPAC name of (5S)-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;trihydrochloride?
The IUPAC name of (5S)-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;trihydrochloride (CID 153482804) is (5S)-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;trihydrochloride.
What is the SMILES notation for (5S)-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;trihydrochloride?
The canonical SMILES for (5S)-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;trihydrochloride is Cl.Cl.Cl.N[C@@H]1c2cccnc2CC12CCNCC2.
What is the InChIKey of (5S)-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;trihydrochloride?
The InChIKey is FJFDGOQDOCFTPN-HCEFKKQBSA-N. The full InChI is InChI=1S/C12H17N3.3ClH/c13-11-9-2-1-5-15-10(9)8-12(11)3-6-14-7-4-12;;;/h1-2,5,11,14H,3-4,6-8,13H2;3*1H/t11-;;;/m1.../s1.
What are the key properties of (5S)-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;trihydrochloride?
(5S)-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;trihydrochloride has a molecular weight of 312.67 g/mol, XLogP of 2.27, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;trihydrochloride is sourced from PubChem (CID 153482804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).