4-[(2S)-2-(2-fluoropropyl)pyrrolidin-1-yl]-3-methylpiperidine

C13H25FN2 — CID 134335424

IUPAC4-[(2S)-2-(2-fluoropropyl)pyrrolidin-1-yl]-3-methylpiperidine
SMILESCC(F)C[C@@H]1CCCN1C1CCNCC1C
InChIInChI=1S/C13H25FN2/c1-10-9-15-6-5-13(10)16-7-3-4-12(16)8-11(2)14/h10-13,15H,3-9H2,1-2H3/t10?,11?,12-,13?/m0/s1
InChIKeyBTHVFTTYVMEANW-ARAJFMJPSA-N
MW228.35 g/mol
LogP2.20
Rot. Bonds3

About 4-[(2S)-2-(2-fluoropropyl)pyrrolidin-1-yl]-3-methylpiperidine

4-[(2S)-2-(2-fluoropropyl)pyrrolidin-1-yl]-3-methylpiperidine (PubChem CID 134335424) has the molecular formula C13H25FN2 and a molecular weight of 228.35 g/mol. Its IUPAC name is 4-[(2S)-2-(2-fluoropropyl)pyrrolidin-1-yl]-3-methylpiperidine.

Molecular Properties

Compound Name4-[(2S)-2-(2-fluoropropyl)pyrrolidin-1-yl]-3-methylpiperidine
PubChem CID134335424
Molecular FormulaC13H25FN2
Molecular Weight228.35 g/mol
Exact Mass228.20
IUPAC Name4-[(2S)-2-(2-fluoropropyl)pyrrolidin-1-yl]-3-methylpiperidine
SMILESCC(F)C[C@@H]1CCCN1C1CCNCC1C
InChIInChI=1S/C13H25FN2/c1-10-9-15-6-5-13(10)16-7-3-4-12(16)8-11(2)14/h10-13,15H,3-9H2,1-2H3/t10?,11?,12-,13?/m0/s1
InChIKeyBTHVFTTYVMEANW-ARAJFMJPSA-N
XLogP2.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-(2-fluoropropyl)pyrrolidin-1-yl]-3-methylpiperidine?
The IUPAC name of 4-[(2S)-2-(2-fluoropropyl)pyrrolidin-1-yl]-3-methylpiperidine (CID 134335424) is 4-[(2S)-2-(2-fluoropropyl)pyrrolidin-1-yl]-3-methylpiperidine.
What is the SMILES notation for 4-[(2S)-2-(2-fluoropropyl)pyrrolidin-1-yl]-3-methylpiperidine?
The canonical SMILES for 4-[(2S)-2-(2-fluoropropyl)pyrrolidin-1-yl]-3-methylpiperidine is CC(F)C[C@@H]1CCCN1C1CCNCC1C.
What is the InChIKey of 4-[(2S)-2-(2-fluoropropyl)pyrrolidin-1-yl]-3-methylpiperidine?
The InChIKey is BTHVFTTYVMEANW-ARAJFMJPSA-N. The full InChI is InChI=1S/C13H25FN2/c1-10-9-15-6-5-13(10)16-7-3-4-12(16)8-11(2)14/h10-13,15H,3-9H2,1-2H3/t10?,11?,12-,13?/m0/s1.
What are the key properties of 4-[(2S)-2-(2-fluoropropyl)pyrrolidin-1-yl]-3-methylpiperidine?
4-[(2S)-2-(2-fluoropropyl)pyrrolidin-1-yl]-3-methylpiperidine has a molecular weight of 228.35 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-(2-fluoropropyl)pyrrolidin-1-yl]-3-methylpiperidine is sourced from PubChem (CID 134335424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).