(3R,4R)-4-(3,6-difluorocarbazol-9-yl)piperidin-3-ol

C17H16F2N2O — CID 76901758

IUPAC(3R,4R)-4-(3,6-difluorocarbazol-9-yl)piperidin-3-ol
SMILESO[C@@H]1CNCC[C@H]1n1c2ccc(F)cc2c2cc(F)ccc21
InChIInChI=1S/C17H16F2N2O/c18-10-1-3-14-12(7-10)13-8-11(19)2-4-15(13)21(14)16-5-6-20-9-17(16)22/h1-4,7-8,16-17,20,22H,5-6,9H2/t16-,17-/m1/s1
InChIKeyHFPMVXXSWSYUEA-IAGOWNOFSA-N
MW302.32 g/mol
LogP2.97
Rot. Bonds1

About (3R,4R)-4-(3,6-difluorocarbazol-9-yl)piperidin-3-ol

(3R,4R)-4-(3,6-difluorocarbazol-9-yl)piperidin-3-ol (PubChem CID 76901758) has the molecular formula C17H16F2N2O and a molecular weight of 302.32 g/mol. Its IUPAC name is (3R,4R)-4-(3,6-difluorocarbazol-9-yl)piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-(3,6-difluorocarbazol-9-yl)piperidin-3-ol
PubChem CID76901758
Molecular FormulaC17H16F2N2O
Molecular Weight302.32 g/mol
Exact Mass302.12
IUPAC Name(3R,4R)-4-(3,6-difluorocarbazol-9-yl)piperidin-3-ol
SMILESO[C@@H]1CNCC[C@H]1n1c2ccc(F)cc2c2cc(F)ccc21
InChIInChI=1S/C17H16F2N2O/c18-10-1-3-14-12(7-10)13-8-11(19)2-4-15(13)21(14)16-5-6-20-9-17(16)22/h1-4,7-8,16-17,20,22H,5-6,9H2/t16-,17-/m1/s1
InChIKeyHFPMVXXSWSYUEA-IAGOWNOFSA-N
XLogP2.97
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4S)-4-(3,6-difluorocarbazol-9-yl)piperidin-3-ol
CID 76901959
(3S,4S)-4-(6-fluoro-3-methylpyrido[2,3-b]indol-9-yl)piperidin-3-ol
CID 137447200
(3S,4S)-4-carbazol-9-ylpiperidin-3-ol
CID 76902154
3,6-dichloro-9-[(4S)-3-fluoropiperidin-4-yl]carbazole
CID 144664156
3-[3,6-bis(trifluoromethyl)carbazol-9-yl]piperidin-4-ol
CID 90281682
3-chloro-6-fluoro-9-piperidin-4-ylcarbazole
CID 137447183
(3R,4S)-4-(3-chloro-6-fluorocarbazol-9-yl)-5,5-difluoropiperidin-3-ol
CID 76902730
5-fluoro-1,2-dimethyl-3-(pyrrolidin-3-ylmethyl)indole
CID 84632364
(3R)-1-benzyl-4-(3,6-difluorocarbazol-9-yl)piperidin-3-ol
CID 118595150
trans-(1S,6R)-2-azido-6-(3,6-difluorocarbazol-9-yl)cyclohexan-1-ol
CID 134238529
6-fluoro-1,2-dimethyl-3-(pyrrolidin-3-ylmethyl)indole
CID 84632400
(3S,4S)-4-[7-methoxy-8-methyl-2-(trifluoromethyl)pyrido[3,2-b]indol-5-yl]azepan-3-ol
CID 129133354

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(3,6-difluorocarbazol-9-yl)piperidin-3-ol?
The IUPAC name of (3R,4R)-4-(3,6-difluorocarbazol-9-yl)piperidin-3-ol (CID 76901758) is (3R,4R)-4-(3,6-difluorocarbazol-9-yl)piperidin-3-ol.
What is the SMILES notation for (3R,4R)-4-(3,6-difluorocarbazol-9-yl)piperidin-3-ol?
The canonical SMILES for (3R,4R)-4-(3,6-difluorocarbazol-9-yl)piperidin-3-ol is O[C@@H]1CNCC[C@H]1n1c2ccc(F)cc2c2cc(F)ccc21.
What is the InChIKey of (3R,4R)-4-(3,6-difluorocarbazol-9-yl)piperidin-3-ol?
The InChIKey is HFPMVXXSWSYUEA-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H16F2N2O/c18-10-1-3-14-12(7-10)13-8-11(19)2-4-15(13)21(14)16-5-6-20-9-17(16)22/h1-4,7-8,16-17,20,22H,5-6,9H2/t16-,17-/m1/s1.
What are the key properties of (3R,4R)-4-(3,6-difluorocarbazol-9-yl)piperidin-3-ol?
(3R,4R)-4-(3,6-difluorocarbazol-9-yl)piperidin-3-ol has a molecular weight of 302.32 g/mol, XLogP of 2.97, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(3,6-difluorocarbazol-9-yl)piperidin-3-ol is sourced from PubChem (CID 76901758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).