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

C19H30N2O — CID 91921744

IUPAC[8-[(4-ethylphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decan-4-yl]methanol
SMILESCCc1ccc(CN2CCC3(CC2)CN(C)CC3CO)cc1
InChIInChI=1S/C19H30N2O/c1-3-16-4-6-17(7-5-16)12-21-10-8-19(9-11-21)15-20(2)13-18(19)14-22/h4-7,18,22H,3,8-15H2,1-2H3
InChIKeyRLJAQCMBWVCEHA-UHFFFAOYSA-N
MW302.46 g/mol
LogP2.39
Rot. Bonds4

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

[8-[(4-ethylphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decan-4-yl]methanol (PubChem CID 91921744) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is [8-[(4-ethylphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decan-4-yl]methanol.

Molecular Properties

Compound Name[8-[(4-ethylphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decan-4-yl]methanol
PubChem CID91921744
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name[8-[(4-ethylphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decan-4-yl]methanol
SMILESCCc1ccc(CN2CCC3(CC2)CN(C)CC3CO)cc1
InChIInChI=1S/C19H30N2O/c1-3-16-4-6-17(7-5-16)12-21-10-8-19(9-11-21)15-20(2)13-18(19)14-22/h4-7,18,22H,3,8-15H2,1-2H3
InChIKeyRLJAQCMBWVCEHA-UHFFFAOYSA-N
XLogP2.39
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [8-[(4-ethylphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The IUPAC name of [8-[(4-ethylphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decan-4-yl]methanol (CID 91921744) is [8-[(4-ethylphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decan-4-yl]methanol.
What is the SMILES notation for [8-[(4-ethylphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The canonical SMILES for [8-[(4-ethylphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decan-4-yl]methanol is CCc1ccc(CN2CCC3(CC2)CN(C)CC3CO)cc1.
What is the InChIKey of [8-[(4-ethylphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The InChIKey is RLJAQCMBWVCEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-3-16-4-6-17(7-5-16)12-21-10-8-19(9-11-21)15-20(2)13-18(19)14-22/h4-7,18,22H,3,8-15H2,1-2H3.
What are the key properties of [8-[(4-ethylphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decan-4-yl]methanol?
[8-[(4-ethylphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decan-4-yl]methanol has a molecular weight of 302.46 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[(4-ethylphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decan-4-yl]methanol is sourced from PubChem (CID 91921744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).