1-[(2R)-1-(1-tert-butylpiperidin-4-yl)-4,4-difluoropyrrolidin-2-yl]ethanol

C15H28F2N2O — CID 159894177

IUPAC1-[(2R)-1-(1-tert-butylpiperidin-4-yl)-4,4-difluoropyrrolidin-2-yl]ethanol
SMILESCC(O)[C@H]1CC(F)(F)CN1C1CCN(C(C)(C)C)CC1
InChIInChI=1S/C15H28F2N2O/c1-11(20)13-9-15(16,17)10-19(13)12-5-7-18(8-6-12)14(2,3)4/h11-13,20H,5-10H2,1-4H3/t11?,13-/m1/s1
InChIKeyNVDFIZSKNREJLW-GLGOKHISSA-N
MW290.40 g/mol
LogP2.34
Rot. Bonds2

About 1-[(2R)-1-(1-tert-butylpiperidin-4-yl)-4,4-difluoropyrrolidin-2-yl]ethanol

1-[(2R)-1-(1-tert-butylpiperidin-4-yl)-4,4-difluoropyrrolidin-2-yl]ethanol (PubChem CID 159894177) has the molecular formula C15H28F2N2O and a molecular weight of 290.40 g/mol. Its IUPAC name is 1-[(2R)-1-(1-tert-butylpiperidin-4-yl)-4,4-difluoropyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name1-[(2R)-1-(1-tert-butylpiperidin-4-yl)-4,4-difluoropyrrolidin-2-yl]ethanol
PubChem CID159894177
Molecular FormulaC15H28F2N2O
Molecular Weight290.40 g/mol
Exact Mass290.22
IUPAC Name1-[(2R)-1-(1-tert-butylpiperidin-4-yl)-4,4-difluoropyrrolidin-2-yl]ethanol
SMILESCC(O)[C@H]1CC(F)(F)CN1C1CCN(C(C)(C)C)CC1
InChIInChI=1S/C15H28F2N2O/c1-11(20)13-9-15(16,17)10-19(13)12-5-7-18(8-6-12)14(2,3)4/h11-13,20H,5-10H2,1-4H3/t11?,13-/m1/s1
InChIKeyNVDFIZSKNREJLW-GLGOKHISSA-N
XLogP2.34
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-(1-tert-butylpiperidin-4-yl)-4,4-difluoropyrrolidin-2-yl]ethanol?
The IUPAC name of 1-[(2R)-1-(1-tert-butylpiperidin-4-yl)-4,4-difluoropyrrolidin-2-yl]ethanol (CID 159894177) is 1-[(2R)-1-(1-tert-butylpiperidin-4-yl)-4,4-difluoropyrrolidin-2-yl]ethanol.
What is the SMILES notation for 1-[(2R)-1-(1-tert-butylpiperidin-4-yl)-4,4-difluoropyrrolidin-2-yl]ethanol?
The canonical SMILES for 1-[(2R)-1-(1-tert-butylpiperidin-4-yl)-4,4-difluoropyrrolidin-2-yl]ethanol is CC(O)[C@H]1CC(F)(F)CN1C1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-[(2R)-1-(1-tert-butylpiperidin-4-yl)-4,4-difluoropyrrolidin-2-yl]ethanol?
The InChIKey is NVDFIZSKNREJLW-GLGOKHISSA-N. The full InChI is InChI=1S/C15H28F2N2O/c1-11(20)13-9-15(16,17)10-19(13)12-5-7-18(8-6-12)14(2,3)4/h11-13,20H,5-10H2,1-4H3/t11?,13-/m1/s1.
What are the key properties of 1-[(2R)-1-(1-tert-butylpiperidin-4-yl)-4,4-difluoropyrrolidin-2-yl]ethanol?
1-[(2R)-1-(1-tert-butylpiperidin-4-yl)-4,4-difluoropyrrolidin-2-yl]ethanol has a molecular weight of 290.40 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-(1-tert-butylpiperidin-4-yl)-4,4-difluoropyrrolidin-2-yl]ethanol is sourced from PubChem (CID 159894177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).