9-[(2-methoxy-5-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane

C17H26N2O — CID 64833057

IUPAC9-[(2-methoxy-5-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane
SMILESCOc1ccc(C)cc1CN1CCNC2(CCCC2)C1
InChIInChI=1S/C17H26N2O/c1-14-5-6-16(20-2)15(11-14)12-19-10-9-18-17(13-19)7-3-4-8-17/h5-6,11,18H,3-4,7-10,12-13H2,1-2H3
InChIKeyVLELKDWOGZGSDT-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.72
Rot. Bonds3

About 9-[(2-methoxy-5-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane

9-[(2-methoxy-5-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane (PubChem CID 64833057) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 9-[(2-methoxy-5-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-[(2-methoxy-5-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane
PubChem CID64833057
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name9-[(2-methoxy-5-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane
SMILESCOc1ccc(C)cc1CN1CCNC2(CCCC2)C1
InChIInChI=1S/C17H26N2O/c1-14-5-6-16(20-2)15(11-14)12-19-10-9-18-17(13-19)7-3-4-8-17/h5-6,11,18H,3-4,7-10,12-13H2,1-2H3
InChIKeyVLELKDWOGZGSDT-UHFFFAOYSA-N
XLogP2.72
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-[(3-bromo-4-methoxyphenyl)methyl]-6,9-diazaspiro[4.5]decane
CID 64833468
9-[(2-methoxy-5-methylphenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane
CID 64877546
1-[(2-methoxy-5-methylphenyl)methyl]-3-methylpyrrolidin-3-ol
CID 103728617
1-[(2,5-dimethoxyphenyl)methyl]-3,3-dimethylpiperazine
CID 82303802
4-[(3-methylphenyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 64831883
11-[(2-chloro-4-methylphenyl)methyl]-7,11-diazaspiro[5.6]dodecane
CID 106870402
1-[(2-methoxy-5-methylphenyl)methyl]-3-methylpiperazine;hydrochloride
CID 119924453
2-[(2-methoxy-5-methylphenyl)methyl]-2-methylazepane
CID 79117786
ethane;1-[(2-methoxy-5-methylphenyl)methyl]-4-methylpiperazine
CID 144540102
10-[(3-methylphenyl)methyl]-6,10-diazaspiro[4.6]undecane
CID 64869306
3-cyclopropyl-1-[(2-methoxy-5-methylphenyl)methyl]piperazine
CID 64832813
1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-ol
CID 47010589

Frequently Asked Questions

What is the IUPAC name of 9-[(2-methoxy-5-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane?
The IUPAC name of 9-[(2-methoxy-5-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane (CID 64833057) is 9-[(2-methoxy-5-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-[(2-methoxy-5-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-[(2-methoxy-5-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane is COc1ccc(C)cc1CN1CCNC2(CCCC2)C1.
What is the InChIKey of 9-[(2-methoxy-5-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane?
The InChIKey is VLELKDWOGZGSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-14-5-6-16(20-2)15(11-14)12-19-10-9-18-17(13-19)7-3-4-8-17/h5-6,11,18H,3-4,7-10,12-13H2,1-2H3.
What are the key properties of 9-[(2-methoxy-5-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane?
9-[(2-methoxy-5-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane has a molecular weight of 274.41 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2-methoxy-5-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64833057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).