[4-(3-azabicyclo[3.3.1]nonan-3-yl)-3-methylphenyl]methanol

C16H23NO — CID 114196611

IUPAC[4-(3-azabicyclo[3.3.1]nonan-3-yl)-3-methylphenyl]methanol
SMILESCc1cc(CO)ccc1N1CC2CCCC(C2)C1
InChIInChI=1S/C16H23NO/c1-12-7-15(11-18)5-6-16(12)17-9-13-3-2-4-14(8-13)10-17/h5-7,13-14,18H,2-4,8-11H2,1H3
InChIKeyPOWMUWIZIABHIT-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.11
Rot. Bonds2

About [4-(3-azabicyclo[3.3.1]nonan-3-yl)-3-methylphenyl]methanol

[4-(3-azabicyclo[3.3.1]nonan-3-yl)-3-methylphenyl]methanol (PubChem CID 114196611) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is [4-(3-azabicyclo[3.3.1]nonan-3-yl)-3-methylphenyl]methanol.

Molecular Properties

Compound Name[4-(3-azabicyclo[3.3.1]nonan-3-yl)-3-methylphenyl]methanol
PubChem CID114196611
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name[4-(3-azabicyclo[3.3.1]nonan-3-yl)-3-methylphenyl]methanol
SMILESCc1cc(CO)ccc1N1CC2CCCC(C2)C1
InChIInChI=1S/C16H23NO/c1-12-7-15(11-18)5-6-16(12)17-9-13-3-2-4-14(8-13)10-17/h5-7,13-14,18H,2-4,8-11H2,1H3
InChIKeyPOWMUWIZIABHIT-UHFFFAOYSA-N
XLogP3.11
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(hydroxymethyl)-2-methylphenyl]pyrrolidin-3-ol
CID 62941166
[3-methyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]methanol
CID 79174316
[3-methyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanol
CID 63170440
[4-(4-cyclopropylpiperazin-1-yl)-3-methylphenyl]methanol
CID 55039974
[3-methyl-4-(4-propan-2-ylpiperidin-1-yl)phenyl]methanol
CID 103498515
[3-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanol
CID 62122049
[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methylphenyl]methanol
CID 62121729
1-[4-(aminomethyl)-2-methylphenyl]azetidin-3-ol
CID 130921105
N-[[1-[4-(hydroxymethyl)-2-methylphenyl]piperidin-4-yl]methyl]acetamide
CID 102736595
N-[[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-methylphenyl]methyl]propan-1-amine
CID 115560709
4-[4-(hydroxymethyl)-2-methylphenyl]-1,4-diazepan-2-one
CID 65366620
[4-(3-cyclopropylpyrazol-1-yl)-3-methylphenyl]methanol
CID 62488140

Frequently Asked Questions

What is the IUPAC name of [4-(3-azabicyclo[3.3.1]nonan-3-yl)-3-methylphenyl]methanol?
The IUPAC name of [4-(3-azabicyclo[3.3.1]nonan-3-yl)-3-methylphenyl]methanol (CID 114196611) is [4-(3-azabicyclo[3.3.1]nonan-3-yl)-3-methylphenyl]methanol.
What is the SMILES notation for [4-(3-azabicyclo[3.3.1]nonan-3-yl)-3-methylphenyl]methanol?
The canonical SMILES for [4-(3-azabicyclo[3.3.1]nonan-3-yl)-3-methylphenyl]methanol is Cc1cc(CO)ccc1N1CC2CCCC(C2)C1.
What is the InChIKey of [4-(3-azabicyclo[3.3.1]nonan-3-yl)-3-methylphenyl]methanol?
The InChIKey is POWMUWIZIABHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-12-7-15(11-18)5-6-16(12)17-9-13-3-2-4-14(8-13)10-17/h5-7,13-14,18H,2-4,8-11H2,1H3.
What are the key properties of [4-(3-azabicyclo[3.3.1]nonan-3-yl)-3-methylphenyl]methanol?
[4-(3-azabicyclo[3.3.1]nonan-3-yl)-3-methylphenyl]methanol has a molecular weight of 245.37 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-azabicyclo[3.3.1]nonan-3-yl)-3-methylphenyl]methanol is sourced from PubChem (CID 114196611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).