1'-aminospiro[1,3-dihydroindene-2,4'-piperidine]-5-carbonitrile;dihydrochloride

C14H19Cl2N3 — CID 156901234

IUPAC1'-aminospiro[1,3-dihydroindene-2,4'-piperidine]-5-carbonitrile;dihydrochloride
SMILESCl.Cl.N#Cc1ccc2c(c1)CC1(CCN(N)CC1)C2
InChIInChI=1S/C14H17N3.2ClH/c15-10-11-1-2-12-8-14(9-13(12)7-11)3-5-17(16)6-4-14;;/h1-2,7H,3-6,8-9,16H2;2*1H
InChIKeyQEZOXJQCWFLTDQ-UHFFFAOYSA-N
MW300.23 g/mol
LogP2.46
Rot. Bonds

About 1'-aminospiro[1,3-dihydroindene-2,4'-piperidine]-5-carbonitrile;dihydrochloride

1'-aminospiro[1,3-dihydroindene-2,4'-piperidine]-5-carbonitrile;dihydrochloride (PubChem CID 156901234) has the molecular formula C14H19Cl2N3 and a molecular weight of 300.23 g/mol. Its IUPAC name is 1'-aminospiro[1,3-dihydroindene-2,4'-piperidine]-5-carbonitrile;dihydrochloride.

Molecular Properties

Compound Name1'-aminospiro[1,3-dihydroindene-2,4'-piperidine]-5-carbonitrile;dihydrochloride
PubChem CID156901234
Molecular FormulaC14H19Cl2N3
Molecular Weight300.23 g/mol
Exact Mass299.10
IUPAC Name1'-aminospiro[1,3-dihydroindene-2,4'-piperidine]-5-carbonitrile;dihydrochloride
SMILESCl.Cl.N#Cc1ccc2c(c1)CC1(CCN(N)CC1)C2
InChIInChI=1S/C14H17N3.2ClH/c15-10-11-1-2-12-8-14(9-13(12)7-11)3-5-17(16)6-4-14;;/h1-2,7H,3-6,8-9,16H2;2*1H
InChIKeyQEZOXJQCWFLTDQ-UHFFFAOYSA-N
XLogP2.46
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1'-aminospiro[1,3-dihydroindene-2,4'-piperidine]-5-carbonitrile;dihydrochloride?
The IUPAC name of 1'-aminospiro[1,3-dihydroindene-2,4'-piperidine]-5-carbonitrile;dihydrochloride (CID 156901234) is 1'-aminospiro[1,3-dihydroindene-2,4'-piperidine]-5-carbonitrile;dihydrochloride.
What is the SMILES notation for 1'-aminospiro[1,3-dihydroindene-2,4'-piperidine]-5-carbonitrile;dihydrochloride?
The canonical SMILES for 1'-aminospiro[1,3-dihydroindene-2,4'-piperidine]-5-carbonitrile;dihydrochloride is Cl.Cl.N#Cc1ccc2c(c1)CC1(CCN(N)CC1)C2.
What is the InChIKey of 1'-aminospiro[1,3-dihydroindene-2,4'-piperidine]-5-carbonitrile;dihydrochloride?
The InChIKey is QEZOXJQCWFLTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3.2ClH/c15-10-11-1-2-12-8-14(9-13(12)7-11)3-5-17(16)6-4-14;;/h1-2,7H,3-6,8-9,16H2;2*1H.
What are the key properties of 1'-aminospiro[1,3-dihydroindene-2,4'-piperidine]-5-carbonitrile;dihydrochloride?
1'-aminospiro[1,3-dihydroindene-2,4'-piperidine]-5-carbonitrile;dihydrochloride has a molecular weight of 300.23 g/mol, XLogP of 2.46, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-aminospiro[1,3-dihydroindene-2,4'-piperidine]-5-carbonitrile;dihydrochloride is sourced from PubChem (CID 156901234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).