1-(3,6-dichlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;dihydrochloride

C19H23Cl4N3O — CID 2729028

IUPAC1-(3,6-dichlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;dihydrochloride
SMILESCl.Cl.OC(CN1CCNCC1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C19H21Cl2N3O.2ClH/c20-13-1-3-18-16(9-13)17-10-14(21)2-4-19(17)24(18)12-15(25)11-23-7-5-22-6-8-23;;/h1-4,9-10,15,22,25H,5-8,11-12H2;2*1H
InChIKeySPLHOQSUXHZQRP-UHFFFAOYSA-N
MW451.23 g/mol
LogP4.21
Rot. Bonds4

About 1-(3,6-dichlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;dihydrochloride

1-(3,6-dichlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;dihydrochloride (PubChem CID 2729028) has the molecular formula C19H23Cl4N3O and a molecular weight of 451.23 g/mol. Its IUPAC name is 1-(3,6-dichlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;dihydrochloride.

Molecular Properties

Compound Name1-(3,6-dichlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;dihydrochloride
PubChem CID2729028
Molecular FormulaC19H23Cl4N3O
Molecular Weight451.23 g/mol
Exact Mass449.06
IUPAC Name1-(3,6-dichlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;dihydrochloride
SMILESCl.Cl.OC(CN1CCNCC1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C19H21Cl2N3O.2ClH/c20-13-1-3-18-16(9-13)17-10-14(21)2-4-19(17)24(18)12-15(25)11-23-7-5-22-6-8-23;;/h1-4,9-10,15,22,25H,5-8,11-12H2;2*1H
InChIKeySPLHOQSUXHZQRP-UHFFFAOYSA-N
XLogP4.21
TPSA40.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.23
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dichlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;dihydrochloride?
The IUPAC name of 1-(3,6-dichlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;dihydrochloride (CID 2729028) is 1-(3,6-dichlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;dihydrochloride.
What is the SMILES notation for 1-(3,6-dichlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;dihydrochloride?
The canonical SMILES for 1-(3,6-dichlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;dihydrochloride is Cl.Cl.OC(CN1CCNCC1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21.
What is the InChIKey of 1-(3,6-dichlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;dihydrochloride?
The InChIKey is SPLHOQSUXHZQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O.2ClH/c20-13-1-3-18-16(9-13)17-10-14(21)2-4-19(17)24(18)12-15(25)11-23-7-5-22-6-8-23;;/h1-4,9-10,15,22,25H,5-8,11-12H2;2*1H.
What are the key properties of 1-(3,6-dichlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;dihydrochloride?
1-(3,6-dichlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;dihydrochloride has a molecular weight of 451.23 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dichlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;dihydrochloride is sourced from PubChem (CID 2729028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).