(3S)-1-piperidin-4-yl-3-(trifluoromethyl)pyrrolidin-3-ol

C10H17F3N2O — CID 129320792

IUPAC(3S)-1-piperidin-4-yl-3-(trifluoromethyl)pyrrolidin-3-ol
SMILESO[C@@]1(C(F)(F)F)CCN(C2CCNCC2)C1
InChIInChI=1S/C10H17F3N2O/c11-10(12,13)9(16)3-6-15(7-9)8-1-4-14-5-2-8/h8,14,16H,1-7H2/t9-/m0/s1
InChIKeyXVUQKBVDIYTABL-VIFPVBQESA-N
MW238.25 g/mol
LogP0.74
Rot. Bonds1

About (3S)-1-piperidin-4-yl-3-(trifluoromethyl)pyrrolidin-3-ol

(3S)-1-piperidin-4-yl-3-(trifluoromethyl)pyrrolidin-3-ol (PubChem CID 129320792) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is (3S)-1-piperidin-4-yl-3-(trifluoromethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-piperidin-4-yl-3-(trifluoromethyl)pyrrolidin-3-ol
PubChem CID129320792
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name(3S)-1-piperidin-4-yl-3-(trifluoromethyl)pyrrolidin-3-ol
SMILESO[C@@]1(C(F)(F)F)CCN(C2CCNCC2)C1
InChIInChI=1S/C10H17F3N2O/c11-10(12,13)9(16)3-6-15(7-9)8-1-4-14-5-2-8/h8,14,16H,1-7H2/t9-/m0/s1
InChIKeyXVUQKBVDIYTABL-VIFPVBQESA-N
XLogP0.74
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-piperidin-4-yl-3-(trifluoromethyl)pyrrolidin-3-ol?
The IUPAC name of (3S)-1-piperidin-4-yl-3-(trifluoromethyl)pyrrolidin-3-ol (CID 129320792) is (3S)-1-piperidin-4-yl-3-(trifluoromethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-piperidin-4-yl-3-(trifluoromethyl)pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-piperidin-4-yl-3-(trifluoromethyl)pyrrolidin-3-ol is O[C@@]1(C(F)(F)F)CCN(C2CCNCC2)C1.
What is the InChIKey of (3S)-1-piperidin-4-yl-3-(trifluoromethyl)pyrrolidin-3-ol?
The InChIKey is XVUQKBVDIYTABL-VIFPVBQESA-N. The full InChI is InChI=1S/C10H17F3N2O/c11-10(12,13)9(16)3-6-15(7-9)8-1-4-14-5-2-8/h8,14,16H,1-7H2/t9-/m0/s1.
What are the key properties of (3S)-1-piperidin-4-yl-3-(trifluoromethyl)pyrrolidin-3-ol?
(3S)-1-piperidin-4-yl-3-(trifluoromethyl)pyrrolidin-3-ol has a molecular weight of 238.25 g/mol, XLogP of 0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-piperidin-4-yl-3-(trifluoromethyl)pyrrolidin-3-ol is sourced from PubChem (CID 129320792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).