2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride

C16H26ClN3O — CID 120906859

IUPAC2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
SMILESCOc1cc(C)nc(CN2CCC3(CCNCC3)C2)c1.Cl
InChIInChI=1S/C16H25N3O.ClH/c1-13-9-15(20-2)10-14(18-13)11-19-8-5-16(12-19)3-6-17-7-4-16;/h9-10,17H,3-8,11-12H2,1-2H3;1H
InChIKeyKHWQDBCKLPEWGL-UHFFFAOYSA-N
MW311.86 g/mol
LogP2.40
Rot. Bonds3

About 2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride

2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride (PubChem CID 120906859) has the molecular formula C16H26ClN3O and a molecular weight of 311.86 g/mol. Its IUPAC name is 2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride.

Molecular Properties

Compound Name2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
PubChem CID120906859
Molecular FormulaC16H26ClN3O
Molecular Weight311.86 g/mol
Exact Mass311.18
IUPAC Name2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
SMILESCOc1cc(C)nc(CN2CCC3(CCNCC3)C2)c1.Cl
InChIInChI=1S/C16H25N3O.ClH/c1-13-9-15(20-2)10-14(18-13)11-19-8-5-16(12-19)3-6-17-7-4-16;/h9-10,17H,3-8,11-12H2,1-2H3;1H
InChIKeyKHWQDBCKLPEWGL-UHFFFAOYSA-N
XLogP2.40
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride with MolForge

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Related Compounds

2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120906860
2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 82884161
2-[(2,5-dimethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906879
2-[(4-methoxy-3,5-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120906518
2-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120907591
2-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride
CID 154892118
1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3,5-dimethylpiperazine
CID 82893576
2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]-2,8-diazaspiro[4.5]decane
CID 120907399
4-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-ethyl-1,3-thiazole
CID 120907391
4-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-(4-methylphenyl)-1,3-thiazole
CID 120907242
3-cyclopropyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperazine
CID 82895989
1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3-propylpiperazine
CID 82895805

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride?
The IUPAC name of 2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride (CID 120906859) is 2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride.
What is the SMILES notation for 2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride?
The canonical SMILES for 2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride is COc1cc(C)nc(CN2CCC3(CCNCC3)C2)c1.Cl.
What is the InChIKey of 2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride?
The InChIKey is KHWQDBCKLPEWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O.ClH/c1-13-9-15(20-2)10-14(18-13)11-19-8-5-16(12-19)3-6-17-7-4-16;/h9-10,17H,3-8,11-12H2,1-2H3;1H.
What are the key properties of 2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride?
2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride has a molecular weight of 311.86 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride is sourced from PubChem (CID 120906859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).