1-(3,6-dichlorocarbazol-9-yl)-3-piperidin-1-ylpropan-2-ol

C20H22Cl2N2O — CID 2802138

IUPAC1-(3,6-dichlorocarbazol-9-yl)-3-piperidin-1-ylpropan-2-ol
SMILESOC(CN1CCCCC1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C20H22Cl2N2O/c21-14-4-6-19-17(10-14)18-11-15(22)5-7-20(18)24(19)13-16(25)12-23-8-2-1-3-9-23/h4-7,10-11,16,25H,1-3,8-9,12-13H2
InChIKeyDUPVGFMKXACAET-UHFFFAOYSA-N
MW377.32 g/mol
LogP4.95
Rot. Bonds4

About 1-(3,6-dichlorocarbazol-9-yl)-3-piperidin-1-ylpropan-2-ol

1-(3,6-dichlorocarbazol-9-yl)-3-piperidin-1-ylpropan-2-ol (PubChem CID 2802138) has the molecular formula C20H22Cl2N2O and a molecular weight of 377.32 g/mol. Its IUPAC name is 1-(3,6-dichlorocarbazol-9-yl)-3-piperidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(3,6-dichlorocarbazol-9-yl)-3-piperidin-1-ylpropan-2-ol
PubChem CID2802138
Molecular FormulaC20H22Cl2N2O
Molecular Weight377.32 g/mol
Exact Mass376.11
IUPAC Name1-(3,6-dichlorocarbazol-9-yl)-3-piperidin-1-ylpropan-2-ol
SMILESOC(CN1CCCCC1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C20H22Cl2N2O/c21-14-4-6-19-17(10-14)18-11-15(22)5-7-20(18)24(19)13-16(25)12-23-8-2-1-3-9-23/h4-7,10-11,16,25H,1-3,8-9,12-13H2
InChIKeyDUPVGFMKXACAET-UHFFFAOYSA-N
XLogP4.95
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.32
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dichlorocarbazol-9-yl)-3-piperidin-1-ylpropan-2-ol?
The IUPAC name of 1-(3,6-dichlorocarbazol-9-yl)-3-piperidin-1-ylpropan-2-ol (CID 2802138) is 1-(3,6-dichlorocarbazol-9-yl)-3-piperidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-(3,6-dichlorocarbazol-9-yl)-3-piperidin-1-ylpropan-2-ol?
The canonical SMILES for 1-(3,6-dichlorocarbazol-9-yl)-3-piperidin-1-ylpropan-2-ol is OC(CN1CCCCC1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21.
What is the InChIKey of 1-(3,6-dichlorocarbazol-9-yl)-3-piperidin-1-ylpropan-2-ol?
The InChIKey is DUPVGFMKXACAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O/c21-14-4-6-19-17(10-14)18-11-15(22)5-7-20(18)24(19)13-16(25)12-23-8-2-1-3-9-23/h4-7,10-11,16,25H,1-3,8-9,12-13H2.
What are the key properties of 1-(3,6-dichlorocarbazol-9-yl)-3-piperidin-1-ylpropan-2-ol?
1-(3,6-dichlorocarbazol-9-yl)-3-piperidin-1-ylpropan-2-ol has a molecular weight of 377.32 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dichlorocarbazol-9-yl)-3-piperidin-1-ylpropan-2-ol is sourced from PubChem (CID 2802138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).