[3-methyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]methanol

C16H24N2O — CID 79174316

IUPAC[3-methyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]methanol
SMILESCc1cc(CO)ccc1N1CCC2CCC(C1)N2C
InChIInChI=1S/C16H24N2O/c1-12-9-13(11-19)3-6-16(12)18-8-7-14-4-5-15(10-18)17(14)2/h3,6,9,14-15,19H,4-5,7-8,10-11H2,1-2H3
InChIKeyLCSHIBKKCWLJPV-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.16
Rot. Bonds2

About [3-methyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]methanol

[3-methyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]methanol (PubChem CID 79174316) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is [3-methyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]methanol.

Molecular Properties

Compound Name[3-methyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]methanol
PubChem CID79174316
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name[3-methyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]methanol
SMILESCc1cc(CO)ccc1N1CCC2CCC(C1)N2C
InChIInChI=1S/C16H24N2O/c1-12-9-13(11-19)3-6-16(12)18-8-7-14-4-5-15(10-18)17(14)2/h3,6,9,14-15,19H,4-5,7-8,10-11H2,1-2H3
InChIKeyLCSHIBKKCWLJPV-UHFFFAOYSA-N
XLogP2.16
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

[3-methyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanol
CID 63170440
1-[4-(hydroxymethyl)-2-methylphenyl]pyrrolidin-3-ol
CID 62941166
[3-methyl-4-(4-propan-2-ylpiperidin-1-yl)phenyl]methanol
CID 103498515
[4-(4-cyclopropylpiperazin-1-yl)-3-methylphenyl]methanol
CID 55039974
[3-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanol
CID 62122049
[5-chloro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]methanol
CID 114845724
[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]methanol
CID 79175516
[4-(3-azabicyclo[3.3.1]nonan-3-yl)-3-methylphenyl]methanol
CID 114196611
[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methylphenyl]methanol
CID 62121729
4-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)benzoic acid
CID 79170933
3-chloro-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)benzoic acid
CID 79170793
N-[[1-[4-(hydroxymethyl)-2-methylphenyl]piperidin-4-yl]methyl]acetamide
CID 102736595

Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]methanol?
The IUPAC name of [3-methyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]methanol (CID 79174316) is [3-methyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]methanol.
What is the SMILES notation for [3-methyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]methanol?
The canonical SMILES for [3-methyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]methanol is Cc1cc(CO)ccc1N1CCC2CCC(C1)N2C.
What is the InChIKey of [3-methyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]methanol?
The InChIKey is LCSHIBKKCWLJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12-9-13(11-19)3-6-16(12)18-8-7-14-4-5-15(10-18)17(14)2/h3,6,9,14-15,19H,4-5,7-8,10-11H2,1-2H3.
What are the key properties of [3-methyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]methanol?
[3-methyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]methanol has a molecular weight of 260.38 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]methanol is sourced from PubChem (CID 79174316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).