3-[(3R,4R)-1-[2-(3-fluorophenyl)ethyl]-3,4-dimethylpiperidin-4-yl]phenol

C21H26FNO — CID 10381799

IUPAC3-[(3R,4R)-1-[2-(3-fluorophenyl)ethyl]-3,4-dimethylpiperidin-4-yl]phenol
SMILESC[C@H]1CN(CCc2cccc(F)c2)CC[C@@]1(C)c1cccc(O)c1
InChIInChI=1S/C21H26FNO/c1-16-15-23(11-9-17-5-3-7-19(22)13-17)12-10-21(16,2)18-6-4-8-20(24)14-18/h3-8,13-14,16,24H,9-12,15H2,1-2H3/t16-,21+/m0/s1
InChIKeyHCCVFSPHCNXGBG-HRAATJIYSA-N
MW327.44 g/mol
LogP4.37
Rot. Bonds4

About 3-[(3R,4R)-1-[2-(3-fluorophenyl)ethyl]-3,4-dimethylpiperidin-4-yl]phenol

3-[(3R,4R)-1-[2-(3-fluorophenyl)ethyl]-3,4-dimethylpiperidin-4-yl]phenol (PubChem CID 10381799) has the molecular formula C21H26FNO and a molecular weight of 327.44 g/mol. Its IUPAC name is 3-[(3R,4R)-1-[2-(3-fluorophenyl)ethyl]-3,4-dimethylpiperidin-4-yl]phenol.

Molecular Properties

Compound Name3-[(3R,4R)-1-[2-(3-fluorophenyl)ethyl]-3,4-dimethylpiperidin-4-yl]phenol
PubChem CID10381799
Molecular FormulaC21H26FNO
Molecular Weight327.44 g/mol
Exact Mass327.20
IUPAC Name3-[(3R,4R)-1-[2-(3-fluorophenyl)ethyl]-3,4-dimethylpiperidin-4-yl]phenol
SMILESC[C@H]1CN(CCc2cccc(F)c2)CC[C@@]1(C)c1cccc(O)c1
InChIInChI=1S/C21H26FNO/c1-16-15-23(11-9-17-5-3-7-19(22)13-17)12-10-21(16,2)18-6-4-8-20(24)14-18/h3-8,13-14,16,24H,9-12,15H2,1-2H3/t16-,21+/m0/s1
InChIKeyHCCVFSPHCNXGBG-HRAATJIYSA-N
XLogP4.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.44
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R,4R)-1-[2-(3-fluorophenyl)ethyl]-3,4-dimethylpiperidin-4-yl]phenol?
The IUPAC name of 3-[(3R,4R)-1-[2-(3-fluorophenyl)ethyl]-3,4-dimethylpiperidin-4-yl]phenol (CID 10381799) is 3-[(3R,4R)-1-[2-(3-fluorophenyl)ethyl]-3,4-dimethylpiperidin-4-yl]phenol.
What is the SMILES notation for 3-[(3R,4R)-1-[2-(3-fluorophenyl)ethyl]-3,4-dimethylpiperidin-4-yl]phenol?
The canonical SMILES for 3-[(3R,4R)-1-[2-(3-fluorophenyl)ethyl]-3,4-dimethylpiperidin-4-yl]phenol is C[C@H]1CN(CCc2cccc(F)c2)CC[C@@]1(C)c1cccc(O)c1.
What is the InChIKey of 3-[(3R,4R)-1-[2-(3-fluorophenyl)ethyl]-3,4-dimethylpiperidin-4-yl]phenol?
The InChIKey is HCCVFSPHCNXGBG-HRAATJIYSA-N. The full InChI is InChI=1S/C21H26FNO/c1-16-15-23(11-9-17-5-3-7-19(22)13-17)12-10-21(16,2)18-6-4-8-20(24)14-18/h3-8,13-14,16,24H,9-12,15H2,1-2H3/t16-,21+/m0/s1.
What are the key properties of 3-[(3R,4R)-1-[2-(3-fluorophenyl)ethyl]-3,4-dimethylpiperidin-4-yl]phenol?
3-[(3R,4R)-1-[2-(3-fluorophenyl)ethyl]-3,4-dimethylpiperidin-4-yl]phenol has a molecular weight of 327.44 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,4R)-1-[2-(3-fluorophenyl)ethyl]-3,4-dimethylpiperidin-4-yl]phenol is sourced from PubChem (CID 10381799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).