4-[2-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]phenyl]piperidine

C17H25FN2 — CID 71029929

IUPAC4-[2-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]phenyl]piperidine
SMILESF[C@@H]1CCN(CCc2ccccc2C2CCNCC2)C1
InChIInChI=1S/C17H25FN2/c18-16-8-12-20(13-16)11-7-14-3-1-2-4-17(14)15-5-9-19-10-6-15/h1-4,15-16,19H,5-13H2/t16-/m1/s1
InChIKeyNUNBUTLRJZKQFS-MRXNPFEDSA-N
MW276.40 g/mol
LogP2.74
Rot. Bonds4

About 4-[2-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]phenyl]piperidine

4-[2-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]phenyl]piperidine (PubChem CID 71029929) has the molecular formula C17H25FN2 and a molecular weight of 276.40 g/mol. Its IUPAC name is 4-[2-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]phenyl]piperidine.

Molecular Properties

Compound Name4-[2-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]phenyl]piperidine
PubChem CID71029929
Molecular FormulaC17H25FN2
Molecular Weight276.40 g/mol
Exact Mass276.20
IUPAC Name4-[2-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]phenyl]piperidine
SMILESF[C@@H]1CCN(CCc2ccccc2C2CCNCC2)C1
InChIInChI=1S/C17H25FN2/c18-16-8-12-20(13-16)11-7-14-3-1-2-4-17(14)15-5-9-19-10-6-15/h1-4,15-16,19H,5-13H2/t16-/m1/s1
InChIKeyNUNBUTLRJZKQFS-MRXNPFEDSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]phenyl]piperidine?
The IUPAC name of 4-[2-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]phenyl]piperidine (CID 71029929) is 4-[2-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]phenyl]piperidine.
What is the SMILES notation for 4-[2-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]phenyl]piperidine?
The canonical SMILES for 4-[2-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]phenyl]piperidine is F[C@@H]1CCN(CCc2ccccc2C2CCNCC2)C1.
What is the InChIKey of 4-[2-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]phenyl]piperidine?
The InChIKey is NUNBUTLRJZKQFS-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H25FN2/c18-16-8-12-20(13-16)11-7-14-3-1-2-4-17(14)15-5-9-19-10-6-15/h1-4,15-16,19H,5-13H2/t16-/m1/s1.
What are the key properties of 4-[2-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]phenyl]piperidine?
4-[2-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]phenyl]piperidine has a molecular weight of 276.40 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]phenyl]piperidine is sourced from PubChem (CID 71029929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).