1-[[(2R,3S,4R)-4-fluoro-2-methyl-1-propan-2-ylpyrrolidin-3-yl]methyl]piperazine

C13H26FN3 — CID 149156472

IUPAC1-[[(2R,3S,4R)-4-fluoro-2-methyl-1-propan-2-ylpyrrolidin-3-yl]methyl]piperazine
SMILESCC(C)N1C[C@H](F)[C@@H](CN2CCNCC2)[C@H]1C
InChIInChI=1S/C13H26FN3/c1-10(2)17-9-13(14)12(11(17)3)8-16-6-4-15-5-7-16/h10-13,15H,4-9H2,1-3H3/t11-,12+,13+/m1/s1
InChIKeyRQEYYQHNXMJKIY-AGIUHOORSA-N
MW243.37 g/mol
LogP0.96
Rot. Bonds3

About 1-[[(2R,3S,4R)-4-fluoro-2-methyl-1-propan-2-ylpyrrolidin-3-yl]methyl]piperazine

1-[[(2R,3S,4R)-4-fluoro-2-methyl-1-propan-2-ylpyrrolidin-3-yl]methyl]piperazine (PubChem CID 149156472) has the molecular formula C13H26FN3 and a molecular weight of 243.37 g/mol. Its IUPAC name is 1-[[(2R,3S,4R)-4-fluoro-2-methyl-1-propan-2-ylpyrrolidin-3-yl]methyl]piperazine.

Molecular Properties

Compound Name1-[[(2R,3S,4R)-4-fluoro-2-methyl-1-propan-2-ylpyrrolidin-3-yl]methyl]piperazine
PubChem CID149156472
Molecular FormulaC13H26FN3
Molecular Weight243.37 g/mol
Exact Mass243.21
IUPAC Name1-[[(2R,3S,4R)-4-fluoro-2-methyl-1-propan-2-ylpyrrolidin-3-yl]methyl]piperazine
SMILESCC(C)N1C[C@H](F)[C@@H](CN2CCNCC2)[C@H]1C
InChIInChI=1S/C13H26FN3/c1-10(2)17-9-13(14)12(11(17)3)8-16-6-4-15-5-7-16/h10-13,15H,4-9H2,1-3H3/t11-,12+,13+/m1/s1
InChIKeyRQEYYQHNXMJKIY-AGIUHOORSA-N
XLogP0.96
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[[(2R,3S,4R)-4-fluoro-2-methyl-1-propan-2-ylpyrrolidin-3-yl]methyl]piperazine with MolForge

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Related Compounds

1-(Pyrrolidin-3-yl)piperidine
CID 23009617
(4aS,7aS)-6-methyl-octahydro-1H-pyrrolo(3,4-b)pyridine
CID 1519490
1-(4-Methylpiperidin-1-yl)propan-2-amine
CID 12700153
4-Ethyl-1-methylpyrrolidin-3-amine
CID 18712666
4-Methyl-4-(pyrrolidin-1-yl)piperidine
CID 59352900
cis-1-Methyloctahydropyrrolo[3,4-b]pyridine
CID 59676679
1-methyl-octahydro-1H-pyrrolo(2,3-c)pyridine
CID 68080074
rac-(3aR,7aS)-1-methyl-octahydro-1H-pyrrolo(2,3-c)pyridine hydrochloride
CID 92844998
3-Isopropyloctahydropyrrolo[1,2-a]pyrazine
CID 71669028
1-Ethyl-4-(pyrrolidin-2-ylmethyl)piperazine
CID 17389816
3-Methyl-1-(pyrrolidin-2-ylmethyl)piperidine
CID 17389881
N-methyl-1-(1-methylpiperidin-4-yl)pyrrolidin-3-amine
CID 43373540

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R,3S,4R)-4-fluoro-2-methyl-1-propan-2-ylpyrrolidin-3-yl]methyl]piperazine?
The IUPAC name of 1-[[(2R,3S,4R)-4-fluoro-2-methyl-1-propan-2-ylpyrrolidin-3-yl]methyl]piperazine (CID 149156472) is 1-[[(2R,3S,4R)-4-fluoro-2-methyl-1-propan-2-ylpyrrolidin-3-yl]methyl]piperazine.
What is the SMILES notation for 1-[[(2R,3S,4R)-4-fluoro-2-methyl-1-propan-2-ylpyrrolidin-3-yl]methyl]piperazine?
The canonical SMILES for 1-[[(2R,3S,4R)-4-fluoro-2-methyl-1-propan-2-ylpyrrolidin-3-yl]methyl]piperazine is CC(C)N1C[C@H](F)[C@@H](CN2CCNCC2)[C@H]1C.
What is the InChIKey of 1-[[(2R,3S,4R)-4-fluoro-2-methyl-1-propan-2-ylpyrrolidin-3-yl]methyl]piperazine?
The InChIKey is RQEYYQHNXMJKIY-AGIUHOORSA-N. The full InChI is InChI=1S/C13H26FN3/c1-10(2)17-9-13(14)12(11(17)3)8-16-6-4-15-5-7-16/h10-13,15H,4-9H2,1-3H3/t11-,12+,13+/m1/s1.
What are the key properties of 1-[[(2R,3S,4R)-4-fluoro-2-methyl-1-propan-2-ylpyrrolidin-3-yl]methyl]piperazine?
1-[[(2R,3S,4R)-4-fluoro-2-methyl-1-propan-2-ylpyrrolidin-3-yl]methyl]piperazine has a molecular weight of 243.37 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R,3S,4R)-4-fluoro-2-methyl-1-propan-2-ylpyrrolidin-3-yl]methyl]piperazine is sourced from PubChem (CID 149156472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).