[8-[(4-chlorophenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decan-4-yl]methanol

C17H25ClN2O — CID 91921737

IUPAC[8-[(4-chlorophenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decan-4-yl]methanol
SMILESCN1CC(CO)C2(CCN(Cc3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C17H25ClN2O/c1-19-11-15(12-21)17(13-19)6-8-20(9-7-17)10-14-2-4-16(18)5-3-14/h2-5,15,21H,6-13H2,1H3
InChIKeyYLOKOCXQOHZESN-UHFFFAOYSA-N
MW308.85 g/mol
LogP2.48
Rot. Bonds3

About [8-[(4-chlorophenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decan-4-yl]methanol

[8-[(4-chlorophenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decan-4-yl]methanol (PubChem CID 91921737) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is [8-[(4-chlorophenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decan-4-yl]methanol.

Molecular Properties

Compound Name[8-[(4-chlorophenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decan-4-yl]methanol
PubChem CID91921737
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name[8-[(4-chlorophenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decan-4-yl]methanol
SMILESCN1CC(CO)C2(CCN(Cc3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C17H25ClN2O/c1-19-11-15(12-21)17(13-19)6-8-20(9-7-17)10-14-2-4-16(18)5-3-14/h2-5,15,21H,6-13H2,1H3
InChIKeyYLOKOCXQOHZESN-UHFFFAOYSA-N
XLogP2.48
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [8-[(4-chlorophenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The IUPAC name of [8-[(4-chlorophenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decan-4-yl]methanol (CID 91921737) is [8-[(4-chlorophenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decan-4-yl]methanol.
What is the SMILES notation for [8-[(4-chlorophenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The canonical SMILES for [8-[(4-chlorophenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decan-4-yl]methanol is CN1CC(CO)C2(CCN(Cc3ccc(Cl)cc3)CC2)C1.
What is the InChIKey of [8-[(4-chlorophenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The InChIKey is YLOKOCXQOHZESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-19-11-15(12-21)17(13-19)6-8-20(9-7-17)10-14-2-4-16(18)5-3-14/h2-5,15,21H,6-13H2,1H3.
What are the key properties of [8-[(4-chlorophenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decan-4-yl]methanol?
[8-[(4-chlorophenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decan-4-yl]methanol has a molecular weight of 308.85 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[(4-chlorophenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decan-4-yl]methanol is sourced from PubChem (CID 91921737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).