3'-benzylspiro[1-azabicyclo[3.2.1]octane-4,4'-piperidine]

C18H26N2 — CID 105366313

IUPAC3'-benzylspiro[1-azabicyclo[3.2.1]octane-4,4'-piperidine]
SMILESc1ccc(CC2CNCCC23CCN2CCC3C2)cc1
InChIInChI=1S/C18H26N2/c1-2-4-15(5-3-1)12-17-13-19-9-7-18(17)8-11-20-10-6-16(18)14-20/h1-5,16-17,19H,6-14H2
InChIKeyZAGNSYPZWKZEGS-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.55
Rot. Bonds2

About 3'-benzylspiro[1-azabicyclo[3.2.1]octane-4,4'-piperidine]

3'-benzylspiro[1-azabicyclo[3.2.1]octane-4,4'-piperidine] (PubChem CID 105366313) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 3'-benzylspiro[1-azabicyclo[3.2.1]octane-4,4'-piperidine].

Molecular Properties

Compound Name3'-benzylspiro[1-azabicyclo[3.2.1]octane-4,4'-piperidine]
PubChem CID105366313
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name3'-benzylspiro[1-azabicyclo[3.2.1]octane-4,4'-piperidine]
SMILESc1ccc(CC2CNCCC23CCN2CCC3C2)cc1
InChIInChI=1S/C18H26N2/c1-2-4-15(5-3-1)12-17-13-19-9-7-18(17)8-11-20-10-6-16(18)14-20/h1-5,16-17,19H,6-14H2
InChIKeyZAGNSYPZWKZEGS-UHFFFAOYSA-N
XLogP2.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3'-(2-chlorophenyl)spiro[1-azabicyclo[3.2.1]octane-4,4'-piperidine]
CID 105366329
5-benzyl-10,11-dimethyl-3-azaspiro[5.5]undecane
CID 79320491
3-benzyl-4,4-difluoropiperidine
CID 84678460
5-benzyl-9,9,11-trimethyl-3-azaspiro[5.5]undecane
CID 81304027
3-benzyl-4-ethyl-4-(methoxymethyl)piperidine
CID 79321073
2-benzyl-1,3-dimethyl-3-pyrrolidin-3-ylpyrrolidine
CID 177005554
6-benzyl-1,2,3,4,5,7,8,8a-octahydro-2,6-naphthyridin-4a-ol
CID 83669932
4-benzyl-1-azabicyclo[3.2.2]nonan-4-ol
CID 83823956
5-benzyl-8,10,10-trimethyl-3-azaspiro[5.5]undecane
CID 79310597
5,12-dibenzyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane
CID 57147750
(1R,5R)-2-benzyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-1-amine
CID 68902674
(2S)-2-benzylpiperazine-1-carboxylic acid
CID 141413078

Frequently Asked Questions

What is the IUPAC name of 3'-benzylspiro[1-azabicyclo[3.2.1]octane-4,4'-piperidine]?
The IUPAC name of 3'-benzylspiro[1-azabicyclo[3.2.1]octane-4,4'-piperidine] (CID 105366313) is 3'-benzylspiro[1-azabicyclo[3.2.1]octane-4,4'-piperidine].
What is the SMILES notation for 3'-benzylspiro[1-azabicyclo[3.2.1]octane-4,4'-piperidine]?
The canonical SMILES for 3'-benzylspiro[1-azabicyclo[3.2.1]octane-4,4'-piperidine] is c1ccc(CC2CNCCC23CCN2CCC3C2)cc1.
What is the InChIKey of 3'-benzylspiro[1-azabicyclo[3.2.1]octane-4,4'-piperidine]?
The InChIKey is ZAGNSYPZWKZEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-2-4-15(5-3-1)12-17-13-19-9-7-18(17)8-11-20-10-6-16(18)14-20/h1-5,16-17,19H,6-14H2.
What are the key properties of 3'-benzylspiro[1-azabicyclo[3.2.1]octane-4,4'-piperidine]?
3'-benzylspiro[1-azabicyclo[3.2.1]octane-4,4'-piperidine] has a molecular weight of 270.42 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-benzylspiro[1-azabicyclo[3.2.1]octane-4,4'-piperidine] is sourced from PubChem (CID 105366313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).