2-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane

C21H27N3O — CID 120906669

IUPAC2-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane
SMILESc1ccc(COc2cccc(CN3CCC4(CCNCC4)C3)c2)nc1
InChIInChI=1S/C21H27N3O/c1-2-10-23-19(5-1)16-25-20-6-3-4-18(14-20)15-24-13-9-21(17-24)7-11-22-12-8-21/h1-6,10,14,22H,7-9,11-13,15-17H2
InChIKeyJNESMJJFLQQAMD-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.24
Rot. Bonds5

About 2-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane

2-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane (PubChem CID 120906669) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 2-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane
PubChem CID120906669
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name2-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane
SMILESc1ccc(COc2cccc(CN3CCC4(CCNCC4)C3)c2)nc1
InChIInChI=1S/C21H27N3O/c1-2-10-23-19(5-1)16-25-20-6-3-4-18(14-20)15-24-13-9-21(17-24)7-11-22-12-8-21/h1-6,10,14,22H,7-9,11-13,15-17H2
InChIKeyJNESMJJFLQQAMD-UHFFFAOYSA-N
XLogP3.24
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-[(3-methoxyphenyl)methyl]-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 97449576
2-[(3-propoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120906573
2-[[3-[(4-piperidin-4-ylpiperidin-1-yl)methyl]phenoxy]methyl]pyridine
CID 146037998
2-[(3-pyridin-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120907330
(5S)-3-methyl-7-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95869955
2-[4-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperazin-1-yl]pyrimidine
CID 50972913
(5S)-9-phenyl-2-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 125021048
2-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906722
2-[(3-pyridin-2-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908518
4-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperazine-2-carboxylic acid
CID 56872361
2-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120907233
(3aS,6aR)-2-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122045263

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane (CID 120906669) is 2-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane is c1ccc(COc2cccc(CN3CCC4(CCNCC4)C3)c2)nc1.
What is the InChIKey of 2-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane?
The InChIKey is JNESMJJFLQQAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-2-10-23-19(5-1)16-25-20-6-3-4-18(14-20)15-24-13-9-21(17-24)7-11-22-12-8-21/h1-6,10,14,22H,7-9,11-13,15-17H2.
What are the key properties of 2-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane?
2-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane has a molecular weight of 337.47 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 120906669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).