[2-(2-methoxyethyl)-8-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol

C19H34N4O2 — CID 91922267

IUPAC[2-(2-methoxyethyl)-8-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol
SMILESCOCCN1CC(CO)C2(CCN(Cc3cnn(C(C)C)c3)CC2)C1
InChIInChI=1S/C19H34N4O2/c1-16(2)23-12-17(10-20-23)11-21-6-4-19(5-7-21)15-22(8-9-25-3)13-18(19)14-24/h10,12,16,18,24H,4-9,11,13-15H2,1-3H3
InChIKeyBHYCXPDERSABMH-UHFFFAOYSA-N
MW350.51 g/mol
LogP1.62
Rot. Bonds7

About [2-(2-methoxyethyl)-8-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol

[2-(2-methoxyethyl)-8-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol (PubChem CID 91922267) has the molecular formula C19H34N4O2 and a molecular weight of 350.51 g/mol. Its IUPAC name is [2-(2-methoxyethyl)-8-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol.

Molecular Properties

Compound Name[2-(2-methoxyethyl)-8-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol
PubChem CID91922267
Molecular FormulaC19H34N4O2
Molecular Weight350.51 g/mol
Exact Mass350.27
IUPAC Name[2-(2-methoxyethyl)-8-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol
SMILESCOCCN1CC(CO)C2(CCN(Cc3cnn(C(C)C)c3)CC2)C1
InChIInChI=1S/C19H34N4O2/c1-16(2)23-12-17(10-20-23)11-21-6-4-19(5-7-21)15-22(8-9-25-3)13-18(19)14-24/h10,12,16,18,24H,4-9,11,13-15H2,1-3H3
InChIKeyBHYCXPDERSABMH-UHFFFAOYSA-N
XLogP1.62
TPSA53.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethyl)-8-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The IUPAC name of [2-(2-methoxyethyl)-8-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol (CID 91922267) is [2-(2-methoxyethyl)-8-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol.
What is the SMILES notation for [2-(2-methoxyethyl)-8-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The canonical SMILES for [2-(2-methoxyethyl)-8-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol is COCCN1CC(CO)C2(CCN(Cc3cnn(C(C)C)c3)CC2)C1.
What is the InChIKey of [2-(2-methoxyethyl)-8-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The InChIKey is BHYCXPDERSABMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O2/c1-16(2)23-12-17(10-20-23)11-21-6-4-19(5-7-21)15-22(8-9-25-3)13-18(19)14-24/h10,12,16,18,24H,4-9,11,13-15H2,1-3H3.
What are the key properties of [2-(2-methoxyethyl)-8-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol?
[2-(2-methoxyethyl)-8-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol has a molecular weight of 350.51 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethyl)-8-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol is sourced from PubChem (CID 91922267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).