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

C17H16F2N2O — CID 76901959

IUPAC(3S,4S)-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-/m0/s1
InChIKeyHFPMVXXSWSYUEA-IRXDYDNUSA-N
MW302.32 g/mol
LogP2.97
Rot. Bonds1

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

(3S,4S)-4-(3,6-difluorocarbazol-9-yl)piperidin-3-ol (PubChem CID 76901959) has the molecular formula C17H16F2N2O and a molecular weight of 302.32 g/mol. Its IUPAC name is (3S,4S)-4-(3,6-difluorocarbazol-9-yl)piperidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-(3,6-difluorocarbazol-9-yl)piperidin-3-ol
PubChem CID76901959
Molecular FormulaC17H16F2N2O
Molecular Weight302.32 g/mol
Exact Mass302.12
IUPAC Name(3S,4S)-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-/m0/s1
InChIKeyHFPMVXXSWSYUEA-IRXDYDNUSA-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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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(3,6-difluorocarbazol-9-yl)piperidin-3-ol?
The IUPAC name of (3S,4S)-4-(3,6-difluorocarbazol-9-yl)piperidin-3-ol (CID 76901959) is (3S,4S)-4-(3,6-difluorocarbazol-9-yl)piperidin-3-ol.
What is the SMILES notation for (3S,4S)-4-(3,6-difluorocarbazol-9-yl)piperidin-3-ol?
The canonical SMILES for (3S,4S)-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 (3S,4S)-4-(3,6-difluorocarbazol-9-yl)piperidin-3-ol?
The InChIKey is HFPMVXXSWSYUEA-IRXDYDNUSA-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-/m0/s1.
What are the key properties of (3S,4S)-4-(3,6-difluorocarbazol-9-yl)piperidin-3-ol?
(3S,4S)-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 (3S,4S)-4-(3,6-difluorocarbazol-9-yl)piperidin-3-ol is sourced from PubChem (CID 76901959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).