(3R)-1-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethyl]-3-methylpiperidine

C12H23FN2 — CID 66580750

IUPAC(3R)-1-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethyl]-3-methylpiperidine
SMILESC[C@@H]1CCCN(CCN2CC[C@H](F)C2)C1
InChIInChI=1S/C12H23FN2/c1-11-3-2-5-14(9-11)7-8-15-6-4-12(13)10-15/h11-12H,2-10H2,1H3/t11-,12+/m1/s1
InChIKeyHGOGMQBYHLIPKD-NEPJUHHUSA-N
MW214.33 g/mol
LogP1.76
Rot. Bonds3

About (3R)-1-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethyl]-3-methylpiperidine

(3R)-1-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethyl]-3-methylpiperidine (PubChem CID 66580750) has the molecular formula C12H23FN2 and a molecular weight of 214.33 g/mol. Its IUPAC name is (3R)-1-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethyl]-3-methylpiperidine.

Molecular Properties

Compound Name(3R)-1-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethyl]-3-methylpiperidine
PubChem CID66580750
Molecular FormulaC12H23FN2
Molecular Weight214.33 g/mol
Exact Mass214.18
IUPAC Name(3R)-1-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethyl]-3-methylpiperidine
SMILESC[C@@H]1CCCN(CCN2CC[C@H](F)C2)C1
InChIInChI=1S/C12H23FN2/c1-11-3-2-5-14(9-11)7-8-15-6-4-12(13)10-15/h11-12H,2-10H2,1H3/t11-,12+/m1/s1
InChIKeyHGOGMQBYHLIPKD-NEPJUHHUSA-N
XLogP1.76
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethyl]-3-methylpiperidine?
The IUPAC name of (3R)-1-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethyl]-3-methylpiperidine (CID 66580750) is (3R)-1-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethyl]-3-methylpiperidine.
What is the SMILES notation for (3R)-1-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethyl]-3-methylpiperidine?
The canonical SMILES for (3R)-1-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethyl]-3-methylpiperidine is C[C@@H]1CCCN(CCN2CC[C@H](F)C2)C1.
What is the InChIKey of (3R)-1-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethyl]-3-methylpiperidine?
The InChIKey is HGOGMQBYHLIPKD-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H23FN2/c1-11-3-2-5-14(9-11)7-8-15-6-4-12(13)10-15/h11-12H,2-10H2,1H3/t11-,12+/m1/s1.
What are the key properties of (3R)-1-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethyl]-3-methylpiperidine?
(3R)-1-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethyl]-3-methylpiperidine has a molecular weight of 214.33 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethyl]-3-methylpiperidine is sourced from PubChem (CID 66580750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).