1-(3-chlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;dihydrochloride

C19H24Cl3N3O — CID 24836635

IUPAC1-(3-chlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;dihydrochloride
SMILESCl.Cl.OC(CN1CCNCC1)Cn1c2ccccc2c2cc(Cl)ccc21
InChIInChI=1S/C19H22ClN3O.2ClH/c20-14-5-6-19-17(11-14)16-3-1-2-4-18(16)23(19)13-15(24)12-22-9-7-21-8-10-22;;/h1-6,11,15,21,24H,7-10,12-13H2;2*1H
InChIKeyVMFWFKOVJDDUCA-UHFFFAOYSA-N
MW416.78 g/mol
LogP3.56
Rot. Bonds4

About 1-(3-chlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;dihydrochloride

1-(3-chlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;dihydrochloride (PubChem CID 24836635) has the molecular formula C19H24Cl3N3O and a molecular weight of 416.78 g/mol. Its IUPAC name is 1-(3-chlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;dihydrochloride.

Molecular Properties

Compound Name1-(3-chlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;dihydrochloride
PubChem CID24836635
Molecular FormulaC19H24Cl3N3O
Molecular Weight416.78 g/mol
Exact Mass415.10
IUPAC Name1-(3-chlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;dihydrochloride
SMILESCl.Cl.OC(CN1CCNCC1)Cn1c2ccccc2c2cc(Cl)ccc21
InChIInChI=1S/C19H22ClN3O.2ClH/c20-14-5-6-19-17(11-14)16-3-1-2-4-18(16)23(19)13-15(24)12-22-9-7-21-8-10-22;;/h1-6,11,15,21,24H,7-10,12-13H2;2*1H
InChIKeyVMFWFKOVJDDUCA-UHFFFAOYSA-N
XLogP3.56
TPSA40.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.78
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,6-dichlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;dihydrochloride
CID 2729028
3-bromo-9-(2-fluoro-3-piperazin-1-ylpropyl)-6-methylcarbazole;1-(3-bromo-6-methylcarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;1-carbazol-9-yl-3-piperazin-1-ylpropan-2-ol;1-(3-chlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;1-(3-methylcarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol
CID 158039272
(2S)-1-(3,6-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;dihydrochloride
CID 138107609
(2S)-1-(3,6-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol
CID 981054
1-(3,6-difluorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol
CID 142425581
1-carbazol-9-yl-3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 3752241
(2S)-1-carbazol-9-yl-3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 1385608
(2S)-1-[4-[(2S)-3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
CID 99707925
(2S)-1-[4-[(2R)-3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
CID 99707929
(2R)-1-carbazol-9-yl-3-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 1109966
(2R)-1-(3-bromocarbazol-9-yl)-3-[4-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 92764423
1-(3-bromocarbazol-9-yl)-3-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]propan-2-ol
CID 3098890

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;dihydrochloride?
The IUPAC name of 1-(3-chlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;dihydrochloride (CID 24836635) is 1-(3-chlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;dihydrochloride.
What is the SMILES notation for 1-(3-chlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;dihydrochloride?
The canonical SMILES for 1-(3-chlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;dihydrochloride is Cl.Cl.OC(CN1CCNCC1)Cn1c2ccccc2c2cc(Cl)ccc21.
What is the InChIKey of 1-(3-chlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;dihydrochloride?
The InChIKey is VMFWFKOVJDDUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O.2ClH/c20-14-5-6-19-17(11-14)16-3-1-2-4-18(16)23(19)13-15(24)12-22-9-7-21-8-10-22;;/h1-6,11,15,21,24H,7-10,12-13H2;2*1H.
What are the key properties of 1-(3-chlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;dihydrochloride?
1-(3-chlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;dihydrochloride has a molecular weight of 416.78 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;dihydrochloride is sourced from PubChem (CID 24836635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).