4-[(3R)-3-fluoropyrrolidin-1-yl]-1-propan-2-ylpiperidine

C12H23FN2 — CID 156546117

IUPAC4-[(3R)-3-fluoropyrrolidin-1-yl]-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(N2CC[C@@H](F)C2)CC1
InChIInChI=1S/C12H23FN2/c1-10(2)14-7-4-12(5-8-14)15-6-3-11(13)9-15/h10-12H,3-9H2,1-2H3/t11-/m1/s1
InChIKeyPQNUWCPFBAFTSK-LLVKDONJSA-N
MW214.33 g/mol
LogP1.90
Rot. Bonds2

About 4-[(3R)-3-fluoropyrrolidin-1-yl]-1-propan-2-ylpiperidine

4-[(3R)-3-fluoropyrrolidin-1-yl]-1-propan-2-ylpiperidine (PubChem CID 156546117) has the molecular formula C12H23FN2 and a molecular weight of 214.33 g/mol. Its IUPAC name is 4-[(3R)-3-fluoropyrrolidin-1-yl]-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-[(3R)-3-fluoropyrrolidin-1-yl]-1-propan-2-ylpiperidine
PubChem CID156546117
Molecular FormulaC12H23FN2
Molecular Weight214.33 g/mol
Exact Mass214.18
IUPAC Name4-[(3R)-3-fluoropyrrolidin-1-yl]-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(N2CC[C@@H](F)C2)CC1
InChIInChI=1S/C12H23FN2/c1-10(2)14-7-4-12(5-8-14)15-6-3-11(13)9-15/h10-12H,3-9H2,1-2H3/t11-/m1/s1
InChIKeyPQNUWCPFBAFTSK-LLVKDONJSA-N
XLogP1.90
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(azetidin-1-yl)-1-propan-2-ylpiperidine
CID 21054794
1-tert-butyl-4-(3-fluoropyrrolidin-1-yl)piperidine
CID 58364985
1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine
CID 58904691
4-methoxy-1-(1-propan-2-ylpiperidin-4-yl)piperidine
CID 146498238
3-(1-propan-2-ylazepan-4-yl)-3,9-diazabicyclo[4.2.1]nonane
CID 115313913
N-propan-2-yl-1-(1-propan-2-ylpiperidin-4-yl)azetidin-3-amine
CID 170184824
3-fluoro-1-azabicyclo[3.2.0]heptane
CID 168880868
1-cyclopropyl-4-propan-2-ylpiperazine
CID 59855791
2-fluoro-1-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]ethanone
CID 170144751
N-propan-2-yl-1-(1-propan-2-ylpiperidin-4-yl)piperidine-4-carboxamide
CID 28955653
1-cyclopropyl-4-propan-2-ylpiperazine;ethane
CID 169164545
(3S)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine
CID 130210207

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-fluoropyrrolidin-1-yl]-1-propan-2-ylpiperidine?
The IUPAC name of 4-[(3R)-3-fluoropyrrolidin-1-yl]-1-propan-2-ylpiperidine (CID 156546117) is 4-[(3R)-3-fluoropyrrolidin-1-yl]-1-propan-2-ylpiperidine.
What is the SMILES notation for 4-[(3R)-3-fluoropyrrolidin-1-yl]-1-propan-2-ylpiperidine?
The canonical SMILES for 4-[(3R)-3-fluoropyrrolidin-1-yl]-1-propan-2-ylpiperidine is CC(C)N1CCC(N2CC[C@@H](F)C2)CC1.
What is the InChIKey of 4-[(3R)-3-fluoropyrrolidin-1-yl]-1-propan-2-ylpiperidine?
The InChIKey is PQNUWCPFBAFTSK-LLVKDONJSA-N. The full InChI is InChI=1S/C12H23FN2/c1-10(2)14-7-4-12(5-8-14)15-6-3-11(13)9-15/h10-12H,3-9H2,1-2H3/t11-/m1/s1.
What are the key properties of 4-[(3R)-3-fluoropyrrolidin-1-yl]-1-propan-2-ylpiperidine?
4-[(3R)-3-fluoropyrrolidin-1-yl]-1-propan-2-ylpiperidine has a molecular weight of 214.33 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-fluoropyrrolidin-1-yl]-1-propan-2-ylpiperidine is sourced from PubChem (CID 156546117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).