(3R,5S)-4-[4-(1,1-difluoroethyl)phenyl]-3,5-dimethylpiperidin-4-ol

C15H21F2NO — CID 143088568

IUPAC(3R,5S)-4-[4-(1,1-difluoroethyl)phenyl]-3,5-dimethylpiperidin-4-ol
SMILESC[C@@H]1CNC[C@H](C)C1(O)c1ccc(C(C)(F)F)cc1
InChIInChI=1S/C15H21F2NO/c1-10-8-18-9-11(2)15(10,19)13-6-4-12(5-7-13)14(3,16)17/h4-7,10-11,18-19H,8-9H2,1-3H3/t10-,11+,15?
InChIKeyIICCTHFRBKVHPI-YWXMQNBFSA-N
MW269.33 g/mol
LogP2.86
Rot. Bonds2

About (3R,5S)-4-[4-(1,1-difluoroethyl)phenyl]-3,5-dimethylpiperidin-4-ol

(3R,5S)-4-[4-(1,1-difluoroethyl)phenyl]-3,5-dimethylpiperidin-4-ol (PubChem CID 143088568) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is (3R,5S)-4-[4-(1,1-difluoroethyl)phenyl]-3,5-dimethylpiperidin-4-ol.

Molecular Properties

Compound Name(3R,5S)-4-[4-(1,1-difluoroethyl)phenyl]-3,5-dimethylpiperidin-4-ol
PubChem CID143088568
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name(3R,5S)-4-[4-(1,1-difluoroethyl)phenyl]-3,5-dimethylpiperidin-4-ol
SMILESC[C@@H]1CNC[C@H](C)C1(O)c1ccc(C(C)(F)F)cc1
InChIInChI=1S/C15H21F2NO/c1-10-8-18-9-11(2)15(10,19)13-6-4-12(5-7-13)14(3,16)17/h4-7,10-11,18-19H,8-9H2,1-3H3/t10-,11+,15?
InChIKeyIICCTHFRBKVHPI-YWXMQNBFSA-N
XLogP2.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-4-[4-(1,1-difluoroethyl)phenyl]-3,5-dimethylpiperidin-4-ol?
The IUPAC name of (3R,5S)-4-[4-(1,1-difluoroethyl)phenyl]-3,5-dimethylpiperidin-4-ol (CID 143088568) is (3R,5S)-4-[4-(1,1-difluoroethyl)phenyl]-3,5-dimethylpiperidin-4-ol.
What is the SMILES notation for (3R,5S)-4-[4-(1,1-difluoroethyl)phenyl]-3,5-dimethylpiperidin-4-ol?
The canonical SMILES for (3R,5S)-4-[4-(1,1-difluoroethyl)phenyl]-3,5-dimethylpiperidin-4-ol is C[C@@H]1CNC[C@H](C)C1(O)c1ccc(C(C)(F)F)cc1.
What is the InChIKey of (3R,5S)-4-[4-(1,1-difluoroethyl)phenyl]-3,5-dimethylpiperidin-4-ol?
The InChIKey is IICCTHFRBKVHPI-YWXMQNBFSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-10-8-18-9-11(2)15(10,19)13-6-4-12(5-7-13)14(3,16)17/h4-7,10-11,18-19H,8-9H2,1-3H3/t10-,11+,15?.
What are the key properties of (3R,5S)-4-[4-(1,1-difluoroethyl)phenyl]-3,5-dimethylpiperidin-4-ol?
(3R,5S)-4-[4-(1,1-difluoroethyl)phenyl]-3,5-dimethylpiperidin-4-ol has a molecular weight of 269.33 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-4-[4-(1,1-difluoroethyl)phenyl]-3,5-dimethylpiperidin-4-ol is sourced from PubChem (CID 143088568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).