1-[3,5-bis(trifluoromethyl)phenyl]-3-(4-phenylpiperidin-4-yl)propan-1-ol

C22H23F6NO — CID 22918543

IUPAC1-[3,5-bis(trifluoromethyl)phenyl]-3-(4-phenylpiperidin-4-yl)propan-1-ol
SMILESOC(CCC1(c2ccccc2)CCNCC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C22H23F6NO/c23-21(24,25)17-12-15(13-18(14-17)22(26,27)28)19(30)6-7-20(8-10-29-11-9-20)16-4-2-1-3-5-16/h1-5,12-14,19,29-30H,6-11H2
InChIKeyDUMPBDUXKDXIIZ-UHFFFAOYSA-N
MW431.42 g/mol
LogP5.86
Rot. Bonds5

About 1-[3,5-bis(trifluoromethyl)phenyl]-3-(4-phenylpiperidin-4-yl)propan-1-ol

1-[3,5-bis(trifluoromethyl)phenyl]-3-(4-phenylpiperidin-4-yl)propan-1-ol (PubChem CID 22918543) has the molecular formula C22H23F6NO and a molecular weight of 431.42 g/mol. Its IUPAC name is 1-[3,5-bis(trifluoromethyl)phenyl]-3-(4-phenylpiperidin-4-yl)propan-1-ol.

Molecular Properties

Compound Name1-[3,5-bis(trifluoromethyl)phenyl]-3-(4-phenylpiperidin-4-yl)propan-1-ol
PubChem CID22918543
Molecular FormulaC22H23F6NO
Molecular Weight431.42 g/mol
Exact Mass431.17
IUPAC Name1-[3,5-bis(trifluoromethyl)phenyl]-3-(4-phenylpiperidin-4-yl)propan-1-ol
SMILESOC(CCC1(c2ccccc2)CCNCC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C22H23F6NO/c23-21(24,25)17-12-15(13-18(14-17)22(26,27)28)19(30)6-7-20(8-10-29-11-9-20)16-4-2-1-3-5-16/h1-5,12-14,19,29-30H,6-11H2
InChIKeyDUMPBDUXKDXIIZ-UHFFFAOYSA-N
XLogP5.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.42
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis(trifluoromethyl)phenyl]-3-(4-phenylpiperidin-4-yl)propan-1-ol?
The IUPAC name of 1-[3,5-bis(trifluoromethyl)phenyl]-3-(4-phenylpiperidin-4-yl)propan-1-ol (CID 22918543) is 1-[3,5-bis(trifluoromethyl)phenyl]-3-(4-phenylpiperidin-4-yl)propan-1-ol.
What is the SMILES notation for 1-[3,5-bis(trifluoromethyl)phenyl]-3-(4-phenylpiperidin-4-yl)propan-1-ol?
The canonical SMILES for 1-[3,5-bis(trifluoromethyl)phenyl]-3-(4-phenylpiperidin-4-yl)propan-1-ol is OC(CCC1(c2ccccc2)CCNCC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[3,5-bis(trifluoromethyl)phenyl]-3-(4-phenylpiperidin-4-yl)propan-1-ol?
The InChIKey is DUMPBDUXKDXIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F6NO/c23-21(24,25)17-12-15(13-18(14-17)22(26,27)28)19(30)6-7-20(8-10-29-11-9-20)16-4-2-1-3-5-16/h1-5,12-14,19,29-30H,6-11H2.
What are the key properties of 1-[3,5-bis(trifluoromethyl)phenyl]-3-(4-phenylpiperidin-4-yl)propan-1-ol?
1-[3,5-bis(trifluoromethyl)phenyl]-3-(4-phenylpiperidin-4-yl)propan-1-ol has a molecular weight of 431.42 g/mol, XLogP of 5.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis(trifluoromethyl)phenyl]-3-(4-phenylpiperidin-4-yl)propan-1-ol is sourced from PubChem (CID 22918543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).