(3R,4R)-4-(3,6-dichlorocarbazol-9-yl)-1-(3,3,3-trifluoropropyl)piperidin-3-ol

C20H19Cl2F3N2O — CID 76901571

IUPAC(3R,4R)-4-(3,6-dichlorocarbazol-9-yl)-1-(3,3,3-trifluoropropyl)piperidin-3-ol
SMILESO[C@@H]1CN(CCC(F)(F)F)CC[C@H]1n1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C20H19Cl2F3N2O/c21-12-1-3-16-14(9-12)15-10-13(22)2-4-17(15)27(16)18-5-7-26(11-19(18)28)8-6-20(23,24)25/h1-4,9-10,18-19,28H,5-8,11H2/t18-,19-/m1/s1
InChIKeyZRECPEWDZVHTGN-RTBURBONSA-N
MW431.29 g/mol
LogP5.66
Rot. Bonds3

About (3R,4R)-4-(3,6-dichlorocarbazol-9-yl)-1-(3,3,3-trifluoropropyl)piperidin-3-ol

(3R,4R)-4-(3,6-dichlorocarbazol-9-yl)-1-(3,3,3-trifluoropropyl)piperidin-3-ol (PubChem CID 76901571) has the molecular formula C20H19Cl2F3N2O and a molecular weight of 431.29 g/mol. Its IUPAC name is (3R,4R)-4-(3,6-dichlorocarbazol-9-yl)-1-(3,3,3-trifluoropropyl)piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-(3,6-dichlorocarbazol-9-yl)-1-(3,3,3-trifluoropropyl)piperidin-3-ol
PubChem CID76901571
Molecular FormulaC20H19Cl2F3N2O
Molecular Weight431.29 g/mol
Exact Mass430.08
IUPAC Name(3R,4R)-4-(3,6-dichlorocarbazol-9-yl)-1-(3,3,3-trifluoropropyl)piperidin-3-ol
SMILESO[C@@H]1CN(CCC(F)(F)F)CC[C@H]1n1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C20H19Cl2F3N2O/c21-12-1-3-16-14(9-12)15-10-13(22)2-4-17(15)27(16)18-5-7-26(11-19(18)28)8-6-20(23,24)25/h1-4,9-10,18-19,28H,5-8,11H2/t18-,19-/m1/s1
InChIKeyZRECPEWDZVHTGN-RTBURBONSA-N
XLogP5.66
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.29
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R,4R)-4-(3,6-dichlorocarbazol-9-yl)-1-(3,3,3-trifluoropropyl)piperidin-3-ol with MolForge

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Related Compounds

tert-butyl (3R,4R)-4-(3,6-dichlorocarbazol-9-yl)-3-hydroxypiperidine-1-carboxylate
CID 90279960
(3R)-1-benzyl-4-(3,6-difluorocarbazol-9-yl)piperidin-3-ol
CID 118595150
tert-butyl (3R)-4-(3,6-dichlorocarbazol-9-yl)-3-hydroxyazepane-1-carboxylate
CID 129133337
tert-butyl (3R)-4-(3,6-dichloropyrido[2,3-b]indol-9-yl)-3-hydroxypiperidine-1-carboxylate
CID 118595162
(3S,4S)-3-(3,6-dichlorocarbazol-9-yl)oxan-4-ol
CID 155083992
tert-butyl 4-(3-chloro-6-hydroxycarbazol-9-yl)-3-fluoropiperidine-1-carboxylate
CID 144664138
3,6-dichloro-9-[(4S)-3-fluoropiperidin-4-yl]carbazole
CID 144664156
(3S,4R,5S)-5-(3,6-dichlorocarbazol-9-yl)oxane-3,4-diol
CID 126530816
tert-butyl 4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-hydroxypiperidine-1-carboxylate
CID 123386531
tert-butyl (3S,4S,5S)-3-amino-5-(3,6-dichlorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate
CID 135315579
1-[(4-chloro-2-fluorophenyl)methyl]-4-methylpiperidin-3-ol
CID 105357465
1-(3,3,3-trifluoropropyl)piperidine-4-carbonyl chloride
CID 59333934

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(3,6-dichlorocarbazol-9-yl)-1-(3,3,3-trifluoropropyl)piperidin-3-ol?
The IUPAC name of (3R,4R)-4-(3,6-dichlorocarbazol-9-yl)-1-(3,3,3-trifluoropropyl)piperidin-3-ol (CID 76901571) is (3R,4R)-4-(3,6-dichlorocarbazol-9-yl)-1-(3,3,3-trifluoropropyl)piperidin-3-ol.
What is the SMILES notation for (3R,4R)-4-(3,6-dichlorocarbazol-9-yl)-1-(3,3,3-trifluoropropyl)piperidin-3-ol?
The canonical SMILES for (3R,4R)-4-(3,6-dichlorocarbazol-9-yl)-1-(3,3,3-trifluoropropyl)piperidin-3-ol is O[C@@H]1CN(CCC(F)(F)F)CC[C@H]1n1c2ccc(Cl)cc2c2cc(Cl)ccc21.
What is the InChIKey of (3R,4R)-4-(3,6-dichlorocarbazol-9-yl)-1-(3,3,3-trifluoropropyl)piperidin-3-ol?
The InChIKey is ZRECPEWDZVHTGN-RTBURBONSA-N. The full InChI is InChI=1S/C20H19Cl2F3N2O/c21-12-1-3-16-14(9-12)15-10-13(22)2-4-17(15)27(16)18-5-7-26(11-19(18)28)8-6-20(23,24)25/h1-4,9-10,18-19,28H,5-8,11H2/t18-,19-/m1/s1.
What are the key properties of (3R,4R)-4-(3,6-dichlorocarbazol-9-yl)-1-(3,3,3-trifluoropropyl)piperidin-3-ol?
(3R,4R)-4-(3,6-dichlorocarbazol-9-yl)-1-(3,3,3-trifluoropropyl)piperidin-3-ol has a molecular weight of 431.29 g/mol, XLogP of 5.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(3,6-dichlorocarbazol-9-yl)-1-(3,3,3-trifluoropropyl)piperidin-3-ol is sourced from PubChem (CID 76901571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).