1-(9H-carbazol-3-yl)-4-(methylamino)butane-1,2-diol

C17H20N2O2 — CID 171891210

IUPAC1-(9H-carbazol-3-yl)-4-(methylamino)butane-1,2-diol
SMILESCNCCC(O)C(O)c1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C17H20N2O2/c1-18-9-8-16(20)17(21)11-6-7-15-13(10-11)12-4-2-3-5-14(12)19-15/h2-7,10,16-21H,8-9H2,1H3
InChIKeyPFEJOBUOVJCVAZ-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.32
Rot. Bonds5

About 1-(9H-carbazol-3-yl)-4-(methylamino)butane-1,2-diol

1-(9H-carbazol-3-yl)-4-(methylamino)butane-1,2-diol (PubChem CID 171891210) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(9H-carbazol-3-yl)-4-(methylamino)butane-1,2-diol.

Molecular Properties

Compound Name1-(9H-carbazol-3-yl)-4-(methylamino)butane-1,2-diol
PubChem CID171891210
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-(9H-carbazol-3-yl)-4-(methylamino)butane-1,2-diol
SMILESCNCCC(O)C(O)c1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C17H20N2O2/c1-18-9-8-16(20)17(21)11-6-7-15-13(10-11)12-4-2-3-5-14(12)19-15/h2-7,10,16-21H,8-9H2,1H3
InChIKeyPFEJOBUOVJCVAZ-UHFFFAOYSA-N
XLogP2.32
TPSA68.28 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-(9H-carbazol-3-yl)butane-1,2-diol
CID 171882250
1-(9H-carbazol-3-yl)propan-1-ol
CID 61087342
1-(9H-carbazol-3-yl)-4-methylpentan-1-ol
CID 61088469
1-(9H-carbazol-3-yl)hexan-1-ol
CID 61088660
methyl 3-(9H-carbazol-3-yl)-2,3-dihydroxypropanoate
CID 171865046
1-(9H-carbazol-3-yl)-3-methylbutan-1-ol
CID 61087531
1-(9H-carbazol-3-yl)-N-methylbutan-1-amine
CID 43483944
1-(9H-carbazol-3-yl)-N-methylethanamine
CID 43483946
1-(9H-carbazol-3-yl)-N,4-dimethylpentan-1-amine
CID 43483949
1-(3,4-difluorophenyl)-4-(methylamino)butane-1,2-diol
CID 171889799
ethyl 6-[1,2-dihydroxy-4-(methylamino)butyl]-4-oxo-1H-quinoline-3-carboxylate
CID 171891262
methyl 2-(9H-carbazol-3-yl)-2-hydroxyacetate
CID 117390881

Frequently Asked Questions

What is the IUPAC name of 1-(9H-carbazol-3-yl)-4-(methylamino)butane-1,2-diol?
The IUPAC name of 1-(9H-carbazol-3-yl)-4-(methylamino)butane-1,2-diol (CID 171891210) is 1-(9H-carbazol-3-yl)-4-(methylamino)butane-1,2-diol.
What is the SMILES notation for 1-(9H-carbazol-3-yl)-4-(methylamino)butane-1,2-diol?
The canonical SMILES for 1-(9H-carbazol-3-yl)-4-(methylamino)butane-1,2-diol is CNCCC(O)C(O)c1ccc2[nH]c3ccccc3c2c1.
What is the InChIKey of 1-(9H-carbazol-3-yl)-4-(methylamino)butane-1,2-diol?
The InChIKey is PFEJOBUOVJCVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-18-9-8-16(20)17(21)11-6-7-15-13(10-11)12-4-2-3-5-14(12)19-15/h2-7,10,16-21H,8-9H2,1H3.
What are the key properties of 1-(9H-carbazol-3-yl)-4-(methylamino)butane-1,2-diol?
1-(9H-carbazol-3-yl)-4-(methylamino)butane-1,2-diol has a molecular weight of 284.36 g/mol, XLogP of 2.32, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-carbazol-3-yl)-4-(methylamino)butane-1,2-diol is sourced from PubChem (CID 171891210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).