2-[(4-methoxynaphthalen-1-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride

C20H27ClN2O — CID 120907098

IUPAC2-[(4-methoxynaphthalen-1-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
SMILESCOc1ccc(CN2CCC3(CCNCC3)C2)c2ccccc12.Cl
InChIInChI=1S/C20H26N2O.ClH/c1-23-19-7-6-16(17-4-2-3-5-18(17)19)14-22-13-10-20(15-22)8-11-21-12-9-20;/h2-7,21H,8-15H2,1H3;1H
InChIKeyCPJQFSCWKYEQLQ-UHFFFAOYSA-N
MW346.90 g/mol
LogP3.85
Rot. Bonds3

About 2-[(4-methoxynaphthalen-1-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride

2-[(4-methoxynaphthalen-1-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride (PubChem CID 120907098) has the molecular formula C20H27ClN2O and a molecular weight of 346.90 g/mol. Its IUPAC name is 2-[(4-methoxynaphthalen-1-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride.

Molecular Properties

Compound Name2-[(4-methoxynaphthalen-1-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
PubChem CID120907098
Molecular FormulaC20H27ClN2O
Molecular Weight346.90 g/mol
Exact Mass346.18
IUPAC Name2-[(4-methoxynaphthalen-1-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
SMILESCOc1ccc(CN2CCC3(CCNCC3)C2)c2ccccc12.Cl
InChIInChI=1S/C20H26N2O.ClH/c1-23-19-7-6-16(17-4-2-3-5-18(17)19)14-22-13-10-20(15-22)8-11-21-12-9-20;/h2-7,21H,8-15H2,1H3;1H
InChIKeyCPJQFSCWKYEQLQ-UHFFFAOYSA-N
XLogP3.85
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.90
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methoxynaphthalen-1-yl)methyl]-2,8-diazaspiro[4.5]decane
CID 120907099
2-[(2,5-dimethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906879
2-[(2-methoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecane
CID 3233910
2-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906722
(5R)-7-[(2,3-dimethoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane
CID 95729851
3-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-methoxyphenol
CID 120908197
2-[(2,3-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906566
2-[(2-methyl-1H-indol-3-yl)methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride
CID 171687135
2-[[2-(difluoromethoxy)naphthalen-1-yl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906708
3-[(3-methoxy-2-prop-2-ynoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecane
CID 56900212
9-benzyl-2-[(2,4-dimethoxy-3-propan-2-ylphenyl)methyl]-2,9-diazaspiro[5.5]undecane
CID 170587596
2-[(2-phenylmethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 56716924

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxynaphthalen-1-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride?
The IUPAC name of 2-[(4-methoxynaphthalen-1-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride (CID 120907098) is 2-[(4-methoxynaphthalen-1-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride.
What is the SMILES notation for 2-[(4-methoxynaphthalen-1-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride?
The canonical SMILES for 2-[(4-methoxynaphthalen-1-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride is COc1ccc(CN2CCC3(CCNCC3)C2)c2ccccc12.Cl.
What is the InChIKey of 2-[(4-methoxynaphthalen-1-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride?
The InChIKey is CPJQFSCWKYEQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O.ClH/c1-23-19-7-6-16(17-4-2-3-5-18(17)19)14-22-13-10-20(15-22)8-11-21-12-9-20;/h2-7,21H,8-15H2,1H3;1H.
What are the key properties of 2-[(4-methoxynaphthalen-1-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride?
2-[(4-methoxynaphthalen-1-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride has a molecular weight of 346.90 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxynaphthalen-1-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride is sourced from PubChem (CID 120907098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).