7-phenyl-2-azaspiro[3.3]heptane

C12H15N — CID 121206984

IUPAC7-phenyl-2-azaspiro[3.3]heptane
SMILESc1ccc(C2CCC23CNC3)cc1
InChIInChI=1S/C12H15N/c1-2-4-10(5-3-1)11-6-7-12(11)8-13-9-12/h1-5,11,13H,6-9H2
InChIKeyLLXZAMOABCNYSW-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.15
Rot. Bonds1

About 7-phenyl-2-azaspiro[3.3]heptane

7-phenyl-2-azaspiro[3.3]heptane (PubChem CID 121206984) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 7-phenyl-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name7-phenyl-2-azaspiro[3.3]heptane
PubChem CID121206984
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name7-phenyl-2-azaspiro[3.3]heptane
SMILESc1ccc(C2CCC23CNC3)cc1
InChIInChI=1S/C12H15N/c1-2-4-10(5-3-1)11-6-7-12(11)8-13-9-12/h1-5,11,13H,6-9H2
InChIKeyLLXZAMOABCNYSW-UHFFFAOYSA-N
XLogP2.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-phenyl-5-azaspiro[2.4]heptane
CID 84654707
(2R,3S)-2-phenyl-5-azaspiro[2.4]heptane
CID 121315230
(2,2-difluorocyclobutyl)benzene
CID 91804683
(4R)-3,3-difluoro-4-phenylpiperidine
CID 97032408
(2-ethyl-2-methylcyclobutyl)benzene
CID 173466674
5-phenyl-9-(trifluoromethyl)-3-azaspiro[5.5]undecane
CID 79311438
6-phenyl-1,9-diazaspiro[4.5]decane
CID 91595107
1-[(9R)-9-phenylspiro[3.5]nonan-2-yl]piperazine
CID 171586794
11-phenyl-1-oxa-4-azaspiro[5.5]undecane
CID 105403743
trans-(1R,2R)-1-ethynyl-2-phenylcyclobutan-1-ol
CID 11958011
cis-(1S,2S)-1-methyl-2-phenylcyclobutane-1-carboxylic acid
CID 99992019
(1S)-1-amino-2-phenylcyclobutane-1-carboxylic acid
CID 155893335

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-2-azaspiro[3.3]heptane?
The IUPAC name of 7-phenyl-2-azaspiro[3.3]heptane (CID 121206984) is 7-phenyl-2-azaspiro[3.3]heptane.
What is the SMILES notation for 7-phenyl-2-azaspiro[3.3]heptane?
The canonical SMILES for 7-phenyl-2-azaspiro[3.3]heptane is c1ccc(C2CCC23CNC3)cc1.
What is the InChIKey of 7-phenyl-2-azaspiro[3.3]heptane?
The InChIKey is LLXZAMOABCNYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-2-4-10(5-3-1)11-6-7-12(11)8-13-9-12/h1-5,11,13H,6-9H2.
What are the key properties of 7-phenyl-2-azaspiro[3.3]heptane?
7-phenyl-2-azaspiro[3.3]heptane has a molecular weight of 173.26 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-2-azaspiro[3.3]heptane is sourced from PubChem (CID 121206984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).