1-carbazol-9-yl-3-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]propan-2-ol

C22H26F3N3O — CID 112826175

IUPAC1-carbazol-9-yl-3-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]propan-2-ol
SMILESOC(CN1CCCN(CC(F)(F)F)CC1)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C22H26F3N3O/c23-22(24,25)16-27-11-5-10-26(12-13-27)14-17(29)15-28-20-8-3-1-6-18(20)19-7-2-4-9-21(19)28/h1-4,6-9,17,29H,5,10-16H2
InChIKeyMEMZZSROPVCUHP-UHFFFAOYSA-N
MW405.46 g/mol
LogP3.73
Rot. Bonds5

About 1-carbazol-9-yl-3-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]propan-2-ol

1-carbazol-9-yl-3-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]propan-2-ol (PubChem CID 112826175) has the molecular formula C22H26F3N3O and a molecular weight of 405.46 g/mol. Its IUPAC name is 1-carbazol-9-yl-3-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-carbazol-9-yl-3-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]propan-2-ol
PubChem CID112826175
Molecular FormulaC22H26F3N3O
Molecular Weight405.46 g/mol
Exact Mass405.20
IUPAC Name1-carbazol-9-yl-3-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]propan-2-ol
SMILESOC(CN1CCCN(CC(F)(F)F)CC1)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C22H26F3N3O/c23-22(24,25)16-27-11-5-10-26(12-13-27)14-17(29)15-28-20-8-3-1-6-18(20)19-7-2-4-9-21(19)28/h1-4,6-9,17,29H,5,10-16H2
InChIKeyMEMZZSROPVCUHP-UHFFFAOYSA-N
XLogP3.73
TPSA31.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-carbazol-9-yl-3-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]propan-2-ol?
The IUPAC name of 1-carbazol-9-yl-3-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]propan-2-ol (CID 112826175) is 1-carbazol-9-yl-3-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]propan-2-ol.
What is the SMILES notation for 1-carbazol-9-yl-3-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]propan-2-ol?
The canonical SMILES for 1-carbazol-9-yl-3-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]propan-2-ol is OC(CN1CCCN(CC(F)(F)F)CC1)Cn1c2ccccc2c2ccccc21.
What is the InChIKey of 1-carbazol-9-yl-3-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]propan-2-ol?
The InChIKey is MEMZZSROPVCUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N3O/c23-22(24,25)16-27-11-5-10-26(12-13-27)14-17(29)15-28-20-8-3-1-6-18(20)19-7-2-4-9-21(19)28/h1-4,6-9,17,29H,5,10-16H2.
What are the key properties of 1-carbazol-9-yl-3-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]propan-2-ol?
1-carbazol-9-yl-3-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]propan-2-ol has a molecular weight of 405.46 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbazol-9-yl-3-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]propan-2-ol is sourced from PubChem (CID 112826175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).