[5-chloro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]methanol

C15H21ClN2O — CID 114845724

IUPAC[5-chloro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]methanol
SMILESCN1C2CCC1CN(c1ccc(Cl)cc1CO)CC2
InChIInChI=1S/C15H21ClN2O/c1-17-13-3-4-14(17)9-18(7-6-13)15-5-2-12(16)8-11(15)10-19/h2,5,8,13-14,19H,3-4,6-7,9-10H2,1H3
InChIKeyHIAKEHARRBXAGG-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.51
Rot. Bonds2

About [5-chloro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]methanol

[5-chloro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]methanol (PubChem CID 114845724) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is [5-chloro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]methanol.

Molecular Properties

Compound Name[5-chloro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]methanol
PubChem CID114845724
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name[5-chloro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]methanol
SMILESCN1C2CCC1CN(c1ccc(Cl)cc1CO)CC2
InChIInChI=1S/C15H21ClN2O/c1-17-13-3-4-14(17)9-18(7-6-13)15-5-2-12(16)8-11(15)10-19/h2,5,8,13-14,19H,3-4,6-7,9-10H2,1H3
InChIKeyHIAKEHARRBXAGG-UHFFFAOYSA-N
XLogP2.51
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]methanol
CID 79175516
[3-methyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]methanol
CID 79174316
[5-chloro-2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methanol
CID 102959940
[2-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-5-propan-2-ylphenyl]methanol
CID 164779205
4-chloro-N'-hydroxy-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)benzenecarboximidamide
CID 79166568
N-[[5-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methyl]ethanamine
CID 114851073
3-chloro-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)benzoic acid
CID 79170793
2-[5-fluoro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]ethanamine
CID 79171052
1-[4-chloro-2-(hydroxymethyl)phenyl]-N-methylpiperidine-3-carboxamide
CID 103196768
[5-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
CID 63171616
[5-chloro-2-(2-ethyl-1,4-oxazepan-4-yl)phenyl]methanol
CID 114218552
1-[1-[4-chloro-2-(ethylaminomethyl)phenyl]pyrrolidin-3-yl]ethanol
CID 114853256

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]methanol?
The IUPAC name of [5-chloro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]methanol (CID 114845724) is [5-chloro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]methanol.
What is the SMILES notation for [5-chloro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]methanol?
The canonical SMILES for [5-chloro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]methanol is CN1C2CCC1CN(c1ccc(Cl)cc1CO)CC2.
What is the InChIKey of [5-chloro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]methanol?
The InChIKey is HIAKEHARRBXAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-17-13-3-4-14(17)9-18(7-6-13)15-5-2-12(16)8-11(15)10-19/h2,5,8,13-14,19H,3-4,6-7,9-10H2,1H3.
What are the key properties of [5-chloro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]methanol?
[5-chloro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]methanol has a molecular weight of 280.80 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]methanol is sourced from PubChem (CID 114845724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).