(2,4-dimethylphenyl)-[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone

C18H26N2O2 — CID 91921673

IUPAC(2,4-dimethylphenyl)-[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone
SMILESCc1ccc(C(=O)N2CC(CO)C3(CCNCC3)C2)c(C)c1
InChIInChI=1S/C18H26N2O2/c1-13-3-4-16(14(2)9-13)17(22)20-10-15(11-21)18(12-20)5-7-19-8-6-18/h3-4,9,15,19,21H,5-8,10-12H2,1-2H3
InChIKeyNXRYAEOUSUSYQO-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.74
Rot. Bonds2

About (2,4-dimethylphenyl)-[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone

(2,4-dimethylphenyl)-[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone (PubChem CID 91921673) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is (2,4-dimethylphenyl)-[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethylphenyl)-[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone
PubChem CID91921673
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name(2,4-dimethylphenyl)-[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone
SMILESCc1ccc(C(=O)N2CC(CO)C3(CCNCC3)C2)c(C)c1
InChIInChI=1S/C18H26N2O2/c1-13-3-4-16(14(2)9-13)17(22)20-10-15(11-21)18(12-20)5-7-19-8-6-18/h3-4,9,15,19,21H,5-8,10-12H2,1-2H3
InChIKeyNXRYAEOUSUSYQO-UHFFFAOYSA-N
XLogP1.74
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 91924989
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1'-[4-(3-Pyrrolidinyl)benzoyl]-1,4'-bipiperidin-4-ol
CID 56918773
[(3R*,4R*)-1-(2,6-dimethylbenzoyl)-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol
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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl)-[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone?
The IUPAC name of (2,4-dimethylphenyl)-[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone (CID 91921673) is (2,4-dimethylphenyl)-[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone.
What is the SMILES notation for (2,4-dimethylphenyl)-[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone?
The canonical SMILES for (2,4-dimethylphenyl)-[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone is Cc1ccc(C(=O)N2CC(CO)C3(CCNCC3)C2)c(C)c1.
What is the InChIKey of (2,4-dimethylphenyl)-[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone?
The InChIKey is NXRYAEOUSUSYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-13-3-4-16(14(2)9-13)17(22)20-10-15(11-21)18(12-20)5-7-19-8-6-18/h3-4,9,15,19,21H,5-8,10-12H2,1-2H3.
What are the key properties of (2,4-dimethylphenyl)-[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone?
(2,4-dimethylphenyl)-[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone has a molecular weight of 302.42 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylphenyl)-[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone is sourced from PubChem (CID 91921673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).