4-[(3S)-3-(fluoromethyl)pyrrolidin-1-yl]piperidine

C10H19FN2 — CID 129499449

IUPAC4-[(3S)-3-(fluoromethyl)pyrrolidin-1-yl]piperidine
SMILESFC[C@H]1CCN(C2CCNCC2)C1
InChIInChI=1S/C10H19FN2/c11-7-9-3-6-13(8-9)10-1-4-12-5-2-10/h9-10,12H,1-8H2/t9-/m1/s1
InChIKeySJFAROZCEAPCMH-SECBINFHSA-N
MW186.27 g/mol
LogP1.03
Rot. Bonds2

About 4-[(3S)-3-(fluoromethyl)pyrrolidin-1-yl]piperidine

4-[(3S)-3-(fluoromethyl)pyrrolidin-1-yl]piperidine (PubChem CID 129499449) has the molecular formula C10H19FN2 and a molecular weight of 186.27 g/mol. Its IUPAC name is 4-[(3S)-3-(fluoromethyl)pyrrolidin-1-yl]piperidine.

Molecular Properties

Compound Name4-[(3S)-3-(fluoromethyl)pyrrolidin-1-yl]piperidine
PubChem CID129499449
Molecular FormulaC10H19FN2
Molecular Weight186.27 g/mol
Exact Mass186.15
IUPAC Name4-[(3S)-3-(fluoromethyl)pyrrolidin-1-yl]piperidine
SMILESFC[C@H]1CCN(C2CCNCC2)C1
InChIInChI=1S/C10H19FN2/c11-7-9-3-6-13(8-9)10-1-4-12-5-2-10/h9-10,12H,1-8H2/t9-/m1/s1
InChIKeySJFAROZCEAPCMH-SECBINFHSA-N
XLogP1.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-(fluoromethyl)pyrrolidin-1-yl]piperidine?
The IUPAC name of 4-[(3S)-3-(fluoromethyl)pyrrolidin-1-yl]piperidine (CID 129499449) is 4-[(3S)-3-(fluoromethyl)pyrrolidin-1-yl]piperidine.
What is the SMILES notation for 4-[(3S)-3-(fluoromethyl)pyrrolidin-1-yl]piperidine?
The canonical SMILES for 4-[(3S)-3-(fluoromethyl)pyrrolidin-1-yl]piperidine is FC[C@H]1CCN(C2CCNCC2)C1.
What is the InChIKey of 4-[(3S)-3-(fluoromethyl)pyrrolidin-1-yl]piperidine?
The InChIKey is SJFAROZCEAPCMH-SECBINFHSA-N. The full InChI is InChI=1S/C10H19FN2/c11-7-9-3-6-13(8-9)10-1-4-12-5-2-10/h9-10,12H,1-8H2/t9-/m1/s1.
What are the key properties of 4-[(3S)-3-(fluoromethyl)pyrrolidin-1-yl]piperidine?
4-[(3S)-3-(fluoromethyl)pyrrolidin-1-yl]piperidine has a molecular weight of 186.27 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-(fluoromethyl)pyrrolidin-1-yl]piperidine is sourced from PubChem (CID 129499449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).