3-(3-methoxyphenyl)-3,9-diazaspiro[5.5]undecane

C16H24N2O — CID 82484817

IUPAC3-(3-methoxyphenyl)-3,9-diazaspiro[5.5]undecane
SMILESCOc1cccc(N2CCC3(CCNCC3)CC2)c1
InChIInChI=1S/C16H24N2O/c1-19-15-4-2-3-14(13-15)18-11-7-16(8-12-18)5-9-17-10-6-16/h2-4,13,17H,5-12H2,1H3
InChIKeyDBPPMEDDXCGXDK-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.67
Rot. Bonds2

About 3-(3-methoxyphenyl)-3,9-diazaspiro[5.5]undecane

3-(3-methoxyphenyl)-3,9-diazaspiro[5.5]undecane (PubChem CID 82484817) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-3,9-diazaspiro[5.5]undecane
PubChem CID82484817
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-(3-methoxyphenyl)-3,9-diazaspiro[5.5]undecane
SMILESCOc1cccc(N2CCC3(CCNCC3)CC2)c1
InChIInChI=1S/C16H24N2O/c1-19-15-4-2-3-14(13-15)18-11-7-16(8-12-18)5-9-17-10-6-16/h2-4,13,17H,5-12H2,1H3
InChIKeyDBPPMEDDXCGXDK-UHFFFAOYSA-N
XLogP2.67
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

bis(1-(3-methoxyphenyl)piperazine);dihydrochloride
CID 70182951
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CID 57276431
1-(3-methoxyphenyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine;hydrochloride
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8-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 21350625
1-iodo-4-(3-methoxyphenyl)piperazine
CID 142256394
4-(3-methoxyphenyl)piperazine-2,6-dione
CID 63788375
1-(3,5-dimethoxyphenyl)piperazine
CID 2736205
2-(3-methylphenyl)-2,7-diazaspiro[4.4]nonane
CID 117028701
2-[1-(3-methoxyphenyl)piperidin-4-ylidene]acetic acid
CID 53435654
1-(3-ethoxyphenyl)piperazine
CID 14519634
4-(3-methoxyphenyl)piperazine-1-carbaldehyde
CID 22945750

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 3-(3-methoxyphenyl)-3,9-diazaspiro[5.5]undecane (CID 82484817) is 3-(3-methoxyphenyl)-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-(3-methoxyphenyl)-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 3-(3-methoxyphenyl)-3,9-diazaspiro[5.5]undecane is COc1cccc(N2CCC3(CCNCC3)CC2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-3,9-diazaspiro[5.5]undecane?
The InChIKey is DBPPMEDDXCGXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-19-15-4-2-3-14(13-15)18-11-7-16(8-12-18)5-9-17-10-6-16/h2-4,13,17H,5-12H2,1H3.
What are the key properties of 3-(3-methoxyphenyl)-3,9-diazaspiro[5.5]undecane?
3-(3-methoxyphenyl)-3,9-diazaspiro[5.5]undecane has a molecular weight of 260.38 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 82484817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).