[8-[(3-chloro-2-fluorophenyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol

C19H28ClFN2O2 — CID 91921811

IUPAC[8-[(3-chloro-2-fluorophenyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol
SMILESCOCCN1CC(CO)C2(CCN(Cc3cccc(Cl)c3F)CC2)C1
InChIInChI=1S/C19H28ClFN2O2/c1-25-10-9-23-12-16(13-24)19(14-23)5-7-22(8-6-19)11-15-3-2-4-17(20)18(15)21/h2-4,16,24H,5-14H2,1H3
InChIKeyKRJVXQJYQHDDQF-UHFFFAOYSA-N
MW370.90 g/mol
LogP2.63
Rot. Bonds6

About [8-[(3-chloro-2-fluorophenyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol

[8-[(3-chloro-2-fluorophenyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol (PubChem CID 91921811) has the molecular formula C19H28ClFN2O2 and a molecular weight of 370.90 g/mol. Its IUPAC name is [8-[(3-chloro-2-fluorophenyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol.

Molecular Properties

Compound Name[8-[(3-chloro-2-fluorophenyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol
PubChem CID91921811
Molecular FormulaC19H28ClFN2O2
Molecular Weight370.90 g/mol
Exact Mass370.18
IUPAC Name[8-[(3-chloro-2-fluorophenyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol
SMILESCOCCN1CC(CO)C2(CCN(Cc3cccc(Cl)c3F)CC2)C1
InChIInChI=1S/C19H28ClFN2O2/c1-25-10-9-23-12-16(13-24)19(14-23)5-7-22(8-6-19)11-15-3-2-4-17(20)18(15)21/h2-4,16,24H,5-14H2,1H3
InChIKeyKRJVXQJYQHDDQF-UHFFFAOYSA-N
XLogP2.63
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.90
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [8-[(3-chloro-2-fluorophenyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The IUPAC name of [8-[(3-chloro-2-fluorophenyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol (CID 91921811) is [8-[(3-chloro-2-fluorophenyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol.
What is the SMILES notation for [8-[(3-chloro-2-fluorophenyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The canonical SMILES for [8-[(3-chloro-2-fluorophenyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol is COCCN1CC(CO)C2(CCN(Cc3cccc(Cl)c3F)CC2)C1.
What is the InChIKey of [8-[(3-chloro-2-fluorophenyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The InChIKey is KRJVXQJYQHDDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClFN2O2/c1-25-10-9-23-12-16(13-24)19(14-23)5-7-22(8-6-19)11-15-3-2-4-17(20)18(15)21/h2-4,16,24H,5-14H2,1H3.
What are the key properties of [8-[(3-chloro-2-fluorophenyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol?
[8-[(3-chloro-2-fluorophenyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol has a molecular weight of 370.90 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[(3-chloro-2-fluorophenyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol is sourced from PubChem (CID 91921811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).