1-[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]piperidin-4-ol

C17H25FN2O — CID 45219452

IUPAC1-[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]piperidin-4-ol
SMILESOC1CCN(CCN2CCC(c3ccc(F)cc3)C2)CC1
InChIInChI=1S/C17H25FN2O/c18-16-3-1-14(2-4-16)15-5-8-20(13-15)12-11-19-9-6-17(21)7-10-19/h1-4,15,17,21H,5-13H2
InChIKeyZMSQGWOJIQLESZ-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.07
Rot. Bonds4

About 1-[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]piperidin-4-ol

1-[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]piperidin-4-ol (PubChem CID 45219452) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]piperidin-4-ol
PubChem CID45219452
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name1-[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]piperidin-4-ol
SMILESOC1CCN(CCN2CCC(c3ccc(F)cc3)C2)CC1
InChIInChI=1S/C17H25FN2O/c18-16-3-1-14(2-4-16)15-5-8-20(13-15)12-11-19-9-6-17(21)7-10-19/h1-4,15,17,21H,5-13H2
InChIKeyZMSQGWOJIQLESZ-UHFFFAOYSA-N
XLogP2.07
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]piperidin-4-ol?
The IUPAC name of 1-[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]piperidin-4-ol (CID 45219452) is 1-[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]piperidin-4-ol?
The canonical SMILES for 1-[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]piperidin-4-ol is OC1CCN(CCN2CCC(c3ccc(F)cc3)C2)CC1.
What is the InChIKey of 1-[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]piperidin-4-ol?
The InChIKey is ZMSQGWOJIQLESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c18-16-3-1-14(2-4-16)15-5-8-20(13-15)12-11-19-9-6-17(21)7-10-19/h1-4,15,17,21H,5-13H2.
What are the key properties of 1-[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]piperidin-4-ol?
1-[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]piperidin-4-ol has a molecular weight of 292.40 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]piperidin-4-ol is sourced from PubChem (CID 45219452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).