1-(3,6-difluorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol

C19H21F2N3O — CID 142425581

IUPAC1-(3,6-difluorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol
SMILESOC(CN1CCNCC1)Cn1c2ccc(F)cc2c2cc(F)ccc21
InChIInChI=1S/C19H21F2N3O/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
InChIKeyXQCWNSSVOZPMGP-UHFFFAOYSA-N
MW345.39 g/mol
LogP2.34
Rot. Bonds4

About 1-(3,6-difluorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol

1-(3,6-difluorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol (PubChem CID 142425581) has the molecular formula C19H21F2N3O and a molecular weight of 345.39 g/mol. Its IUPAC name is 1-(3,6-difluorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(3,6-difluorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol
PubChem CID142425581
Molecular FormulaC19H21F2N3O
Molecular Weight345.39 g/mol
Exact Mass345.17
IUPAC Name1-(3,6-difluorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol
SMILESOC(CN1CCNCC1)Cn1c2ccc(F)cc2c2cc(F)ccc21
InChIInChI=1S/C19H21F2N3O/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
InChIKeyXQCWNSSVOZPMGP-UHFFFAOYSA-N
XLogP2.34
TPSA40.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(3,6-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol
CID 981054
(2S)-1-(3,6-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;dihydrochloride
CID 138107609
1-(3,6-dichlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;dihydrochloride
CID 2729028
1-(3-chlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;dihydrochloride
CID 24836635
1-(3,6-difluorocarbazol-9-yl)-3-(1,2,6-thiadiazinan-2-yl)propan-2-ol
CID 135284908
1-(5-fluoro-2,3-dimethylindol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 17028209
(2S)-1-(3,6-dibromocarbazol-9-yl)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 69282541
1-[3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]pyrrolidin-2-one
CID 118415662
1-(3-bromocarbazol-9-yl)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 66741784
(3S)-1-[(2R)-3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]-3-methylpyrrolidin-2-one
CID 118415383
1-carbazol-9-yl-3-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]propan-2-ol
CID 23884211
1-(3,6-difluorocarbazol-9-yl)-3-[methyl(methylsulfanyl)amino]propan-2-ol
CID 135295529

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-difluorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol?
The IUPAC name of 1-(3,6-difluorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol (CID 142425581) is 1-(3,6-difluorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol.
What is the SMILES notation for 1-(3,6-difluorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol?
The canonical SMILES for 1-(3,6-difluorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol is OC(CN1CCNCC1)Cn1c2ccc(F)cc2c2cc(F)ccc21.
What is the InChIKey of 1-(3,6-difluorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol?
The InChIKey is XQCWNSSVOZPMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O/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.
What are the key properties of 1-(3,6-difluorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol?
1-(3,6-difluorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol has a molecular weight of 345.39 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-difluorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol is sourced from PubChem (CID 142425581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).