(3R,4S)-3-fluoro-4-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperidine

C13H25FN2 — CID 166536908

IUPAC(3R,4S)-3-fluoro-4-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperidine
SMILESC[C@H]1CCN(CC2CCN(C)CC2)C[C@@H]1F
InChIInChI=1S/C13H25FN2/c1-11-3-8-16(10-13(11)14)9-12-4-6-15(2)7-5-12/h11-13H,3-10H2,1-2H3/t11-,13-/m0/s1
InChIKeySWWBETSVDJVKFP-AAEUAGOBSA-N
MW228.35 g/mol
LogP2.01
Rot. Bonds2

About (3R,4S)-3-fluoro-4-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperidine

(3R,4S)-3-fluoro-4-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperidine (PubChem CID 166536908) has the molecular formula C13H25FN2 and a molecular weight of 228.35 g/mol. Its IUPAC name is (3R,4S)-3-fluoro-4-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperidine.

Molecular Properties

Compound Name(3R,4S)-3-fluoro-4-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperidine
PubChem CID166536908
Molecular FormulaC13H25FN2
Molecular Weight228.35 g/mol
Exact Mass228.20
IUPAC Name(3R,4S)-3-fluoro-4-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperidine
SMILESC[C@H]1CCN(CC2CCN(C)CC2)C[C@@H]1F
InChIInChI=1S/C13H25FN2/c1-11-3-8-16(10-13(11)14)9-12-4-6-15(2)7-5-12/h11-13H,3-10H2,1-2H3/t11-,13-/m0/s1
InChIKeySWWBETSVDJVKFP-AAEUAGOBSA-N
XLogP2.01
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.35
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-fluoro-4-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperidine?
The IUPAC name of (3R,4S)-3-fluoro-4-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperidine (CID 166536908) is (3R,4S)-3-fluoro-4-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperidine.
What is the SMILES notation for (3R,4S)-3-fluoro-4-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperidine?
The canonical SMILES for (3R,4S)-3-fluoro-4-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperidine is C[C@H]1CCN(CC2CCN(C)CC2)C[C@@H]1F.
What is the InChIKey of (3R,4S)-3-fluoro-4-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperidine?
The InChIKey is SWWBETSVDJVKFP-AAEUAGOBSA-N. The full InChI is InChI=1S/C13H25FN2/c1-11-3-8-16(10-13(11)14)9-12-4-6-15(2)7-5-12/h11-13H,3-10H2,1-2H3/t11-,13-/m0/s1.
What are the key properties of (3R,4S)-3-fluoro-4-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperidine?
(3R,4S)-3-fluoro-4-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperidine has a molecular weight of 228.35 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-fluoro-4-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperidine is sourced from PubChem (CID 166536908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).