7-(4-nitrophenyl)-2,7-diazaspiro[3.5]nonane;hydrochloride

C13H18ClN3O2 — CID 177197386

IUPAC7-(4-nitrophenyl)-2,7-diazaspiro[3.5]nonane;hydrochloride
SMILESCl.O=[N+]([O-])c1ccc(N2CCC3(CC2)CNC3)cc1
InChIInChI=1S/C13H17N3O2.ClH/c17-16(18)12-3-1-11(2-4-12)15-7-5-13(6-8-15)9-14-10-13;/h1-4,14H,5-10H2;1H
InChIKeyYEKZMPANLNAWBH-UHFFFAOYSA-N
MW283.76 g/mol
LogP2.21
Rot. Bonds2

About 7-(4-nitrophenyl)-2,7-diazaspiro[3.5]nonane;hydrochloride

7-(4-nitrophenyl)-2,7-diazaspiro[3.5]nonane;hydrochloride (PubChem CID 177197386) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 7-(4-nitrophenyl)-2,7-diazaspiro[3.5]nonane;hydrochloride.

Molecular Properties

Compound Name7-(4-nitrophenyl)-2,7-diazaspiro[3.5]nonane;hydrochloride
PubChem CID177197386
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name7-(4-nitrophenyl)-2,7-diazaspiro[3.5]nonane;hydrochloride
SMILESCl.O=[N+]([O-])c1ccc(N2CCC3(CC2)CNC3)cc1
InChIInChI=1S/C13H17N3O2.ClH/c17-16(18)12-3-1-11(2-4-12)15-7-5-13(6-8-15)9-14-10-13;/h1-4,14H,5-10H2;1H
InChIKeyYEKZMPANLNAWBH-UHFFFAOYSA-N
XLogP2.21
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(4-nitrophenyl)-5-azaspiro[2.5]octane
CID 133480921
1-(4-nitrophenyl)piperidin-4-amine
CID 12050747
1-(4-methylphenyl)-4-(4-nitrophenyl)piperazine
CID 12668784
1-[4-(4-nitrophenyl)phenyl]piperidine
CID 22899688
2-(4-nitrophenyl)-7-oxa-2-azaspiro[3.5]nonane
CID 118979580
4-ethyl-1-(4-nitrophenyl)piperidine-4-carboxylic acid
CID 63126114
1-methanidyl-4-(4-nitrophenyl)piperazin-1-ium
CID 20723203
2,2-dimethyl-1-(4-nitrophenyl)piperazine
CID 65463015
2-(4-nitrophenyl)-2,7-diazaspiro[4.5]decane-6,8-dione
CID 146198268
6-methyl-2-(4-nitrophenyl)-2,6-diazaspiro[3.3]heptane
CID 154969076
ethane;methanol;4-(4-nitrophenyl)morpholine
CID 177318557
1,1-dimethyl-4-(4-nitrophenyl)-1,4-diazepan-1-ium chloride
CID 69429847

Frequently Asked Questions

What is the IUPAC name of 7-(4-nitrophenyl)-2,7-diazaspiro[3.5]nonane;hydrochloride?
The IUPAC name of 7-(4-nitrophenyl)-2,7-diazaspiro[3.5]nonane;hydrochloride (CID 177197386) is 7-(4-nitrophenyl)-2,7-diazaspiro[3.5]nonane;hydrochloride.
What is the SMILES notation for 7-(4-nitrophenyl)-2,7-diazaspiro[3.5]nonane;hydrochloride?
The canonical SMILES for 7-(4-nitrophenyl)-2,7-diazaspiro[3.5]nonane;hydrochloride is Cl.O=[N+]([O-])c1ccc(N2CCC3(CC2)CNC3)cc1.
What is the InChIKey of 7-(4-nitrophenyl)-2,7-diazaspiro[3.5]nonane;hydrochloride?
The InChIKey is YEKZMPANLNAWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2.ClH/c17-16(18)12-3-1-11(2-4-12)15-7-5-13(6-8-15)9-14-10-13;/h1-4,14H,5-10H2;1H.
What are the key properties of 7-(4-nitrophenyl)-2,7-diazaspiro[3.5]nonane;hydrochloride?
7-(4-nitrophenyl)-2,7-diazaspiro[3.5]nonane;hydrochloride has a molecular weight of 283.76 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-nitrophenyl)-2,7-diazaspiro[3.5]nonane;hydrochloride is sourced from PubChem (CID 177197386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).