2-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride

C21H28ClN3O — CID 120907233

IUPAC2-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
SMILESCl.c1cc(COc2ccc(CN3CCC4(CCNCC4)C3)cc2)ccn1
InChIInChI=1S/C21H27N3O.ClH/c1-3-20(25-16-19-5-10-22-11-6-19)4-2-18(1)15-24-14-9-21(17-24)7-12-23-13-8-21;/h1-6,10-11,23H,7-9,12-17H2;1H
InChIKeyZRXHTLOSLGYBRS-UHFFFAOYSA-N
MW373.93 g/mol
LogP3.66
Rot. Bonds5

About 2-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride

2-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride (PubChem CID 120907233) has the molecular formula C21H28ClN3O and a molecular weight of 373.93 g/mol. Its IUPAC name is 2-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride.

Molecular Properties

Compound Name2-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
PubChem CID120907233
Molecular FormulaC21H28ClN3O
Molecular Weight373.93 g/mol
Exact Mass373.19
IUPAC Name2-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
SMILESCl.c1cc(COc2ccc(CN3CCC4(CCNCC4)C3)cc2)ccn1
InChIInChI=1S/C21H27N3O.ClH/c1-3-20(25-16-19-5-10-22-11-6-19)4-2-18(1)15-24-14-9-21(17-24)7-12-23-13-8-21;/h1-6,10-11,23H,7-9,12-17H2;1H
InChIKeyZRXHTLOSLGYBRS-UHFFFAOYSA-N
XLogP3.66
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.93
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-pyrazin-2-yloxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908350
2-[(4-propan-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride
CID 154891864
2-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906722
2-[[4-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)phenoxy]methyl]-8-methylimidazo[1,2-a]pyridine;hydrochloride
CID 120908582
4-[[4-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)phenoxy]methyl]-2-methyl-1,3-thiazole
CID 120907731
2-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906820
2-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane
CID 120906669
2-[(2-phenylmethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 56716924
2-[(3,4-dibromophenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906816
2-pyridin-4-yl-1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperazine;hydrochloride
CID 120910611
2-[(3,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906720
5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-N,N-dimethylpyrimidin-2-amine;hydrochloride
CID 120907192

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride?
The IUPAC name of 2-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride (CID 120907233) is 2-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride.
What is the SMILES notation for 2-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride?
The canonical SMILES for 2-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride is Cl.c1cc(COc2ccc(CN3CCC4(CCNCC4)C3)cc2)ccn1.
What is the InChIKey of 2-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride?
The InChIKey is ZRXHTLOSLGYBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O.ClH/c1-3-20(25-16-19-5-10-22-11-6-19)4-2-18(1)15-24-14-9-21(17-24)7-12-23-13-8-21;/h1-6,10-11,23H,7-9,12-17H2;1H.
What are the key properties of 2-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride?
2-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride has a molecular weight of 373.93 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride is sourced from PubChem (CID 120907233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).