2-[[2-(difluoromethoxy)phenyl]methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane

C19H28F2N2O2 — CID 45213726

IUPAC2-[[2-(difluoromethoxy)phenyl]methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane
SMILESCOCCN1CCCC2(CCN(Cc3ccccc3OC(F)F)C2)C1
InChIInChI=1S/C19H28F2N2O2/c1-24-12-11-22-9-4-7-19(14-22)8-10-23(15-19)13-16-5-2-3-6-17(16)25-18(20)21/h2-3,5-6,18H,4,7-15H2,1H3
InChIKeyXGDRQKFASKHIFO-UHFFFAOYSA-N
MW354.44 g/mol
LogP3.22
Rot. Bonds7

About 2-[[2-(difluoromethoxy)phenyl]methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane

2-[[2-(difluoromethoxy)phenyl]methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane (PubChem CID 45213726) has the molecular formula C19H28F2N2O2 and a molecular weight of 354.44 g/mol. Its IUPAC name is 2-[[2-(difluoromethoxy)phenyl]methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-[[2-(difluoromethoxy)phenyl]methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane
PubChem CID45213726
Molecular FormulaC19H28F2N2O2
Molecular Weight354.44 g/mol
Exact Mass354.21
IUPAC Name2-[[2-(difluoromethoxy)phenyl]methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane
SMILESCOCCN1CCCC2(CCN(Cc3ccccc3OC(F)F)C2)C1
InChIInChI=1S/C19H28F2N2O2/c1-24-12-11-22-9-4-7-19(14-22)8-10-23(15-19)13-16-5-2-3-6-17(16)25-18(20)21/h2-3,5-6,18H,4,7-15H2,1H3
InChIKeyXGDRQKFASKHIFO-UHFFFAOYSA-N
XLogP3.22
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(cyclopropylmethyl)-2-[[2-(difluoromethoxy)phenyl]methyl]-2,9-diazaspiro[4.5]decane
CID 45218460
2-[(5-chloro-2,3-dimethoxyphenyl)methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane
CID 45246733
1-[(5S)-2-[(2-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]ethanone
CID 3233425
2-[(2-methoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecane
CID 3233910
1-[[2-(difluoromethoxy)phenyl]methyl]-N,4-dimethylpiperidin-4-amine
CID 115303878
[(3S)-3-(cyclopropylmethyl)-1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]methanol
CID 97123129
7-[(2,3-difluorophenyl)methyl]-2-propyl-2,7-diazaspiro[4.5]decane
CID 45230882
(5R)-9-[(2-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane
CID 42593843
(5S)-9-(2-methoxyethyl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
CID 95713598
(5S)-2,9-bis(2-propan-2-yloxyethyl)-2,9-diazaspiro[4.5]decane
CID 176678662
2-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane
CID 45230528
(5S)-7-[(2-fluorophenyl)methyl]-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decane
CID 42461609

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(difluoromethoxy)phenyl]methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane?
The IUPAC name of 2-[[2-(difluoromethoxy)phenyl]methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane (CID 45213726) is 2-[[2-(difluoromethoxy)phenyl]methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 2-[[2-(difluoromethoxy)phenyl]methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 2-[[2-(difluoromethoxy)phenyl]methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane is COCCN1CCCC2(CCN(Cc3ccccc3OC(F)F)C2)C1.
What is the InChIKey of 2-[[2-(difluoromethoxy)phenyl]methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane?
The InChIKey is XGDRQKFASKHIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F2N2O2/c1-24-12-11-22-9-4-7-19(14-22)8-10-23(15-19)13-16-5-2-3-6-17(16)25-18(20)21/h2-3,5-6,18H,4,7-15H2,1H3.
What are the key properties of 2-[[2-(difluoromethoxy)phenyl]methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane?
2-[[2-(difluoromethoxy)phenyl]methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane has a molecular weight of 354.44 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(difluoromethoxy)phenyl]methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 45213726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).