1-[(3R)-1-tert-butylpyrrolidin-3-yl]-4-fluoropiperidine

C13H25FN2 — CID 167291830

IUPAC1-[(3R)-1-tert-butylpyrrolidin-3-yl]-4-fluoropiperidine
SMILESCC(C)(C)N1CC[C@@H](N2CCC(F)CC2)C1
InChIInChI=1S/C13H25FN2/c1-13(2,3)16-9-6-12(10-16)15-7-4-11(14)5-8-15/h11-12H,4-10H2,1-3H3/t12-/m1/s1
InChIKeySNUPYOFOYBDDHB-GFCCVEGCSA-N
MW228.35 g/mol
LogP2.29
Rot. Bonds1

About 1-[(3R)-1-tert-butylpyrrolidin-3-yl]-4-fluoropiperidine

1-[(3R)-1-tert-butylpyrrolidin-3-yl]-4-fluoropiperidine (PubChem CID 167291830) has the molecular formula C13H25FN2 and a molecular weight of 228.35 g/mol. Its IUPAC name is 1-[(3R)-1-tert-butylpyrrolidin-3-yl]-4-fluoropiperidine.

Molecular Properties

Compound Name1-[(3R)-1-tert-butylpyrrolidin-3-yl]-4-fluoropiperidine
PubChem CID167291830
Molecular FormulaC13H25FN2
Molecular Weight228.35 g/mol
Exact Mass228.20
IUPAC Name1-[(3R)-1-tert-butylpyrrolidin-3-yl]-4-fluoropiperidine
SMILESCC(C)(C)N1CC[C@@H](N2CCC(F)CC2)C1
InChIInChI=1S/C13H25FN2/c1-13(2,3)16-9-6-12(10-16)15-7-4-11(14)5-8-15/h11-12H,4-10H2,1-3H3/t12-/m1/s1
InChIKeySNUPYOFOYBDDHB-GFCCVEGCSA-N
XLogP2.29
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.35
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-tert-butyl-3-pyrrolidin-1-ylpyrrolidine
CID 166567497
4-(1-tert-butylpyrrolidin-3-yl)morpholine
CID 58364982
1-tert-butyl-4-(3-fluoropyrrolidin-1-yl)piperidine
CID 58364985
1-[(3S)-1-tert-butylpyrrolidin-3-yl]-4-methoxypiperidine
CID 166567506
(3R)-1-tert-butyl-3-[(3S)-3-methylpyrrolidin-1-yl]pyrrolidine
CID 166567380
2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 23403360
1-(1-tert-butylpyrrolidin-3-yl)-1,4-diazepane
CID 117004540
1-[(3S)-1-tert-butylpyrrolidin-3-yl]-3,3-difluoropyrrolidine
CID 167291973
2-tert-butyl-3,4,6,7,8,9,10,10a-octahydro-1H-pyrazino[1,2-a]azepine
CID 122520116
1-cyclopropyl-4-fluoropiperidine
CID 154325828
4-fluoro-1-(1-methylpiperidin-4-yl)piperidine
CID 90227733
1-(1-tert-butylazetidin-3-yl)-4,4-dimethylpiperidine
CID 166567337

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-tert-butylpyrrolidin-3-yl]-4-fluoropiperidine?
The IUPAC name of 1-[(3R)-1-tert-butylpyrrolidin-3-yl]-4-fluoropiperidine (CID 167291830) is 1-[(3R)-1-tert-butylpyrrolidin-3-yl]-4-fluoropiperidine.
What is the SMILES notation for 1-[(3R)-1-tert-butylpyrrolidin-3-yl]-4-fluoropiperidine?
The canonical SMILES for 1-[(3R)-1-tert-butylpyrrolidin-3-yl]-4-fluoropiperidine is CC(C)(C)N1CC[C@@H](N2CCC(F)CC2)C1.
What is the InChIKey of 1-[(3R)-1-tert-butylpyrrolidin-3-yl]-4-fluoropiperidine?
The InChIKey is SNUPYOFOYBDDHB-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H25FN2/c1-13(2,3)16-9-6-12(10-16)15-7-4-11(14)5-8-15/h11-12H,4-10H2,1-3H3/t12-/m1/s1.
What are the key properties of 1-[(3R)-1-tert-butylpyrrolidin-3-yl]-4-fluoropiperidine?
1-[(3R)-1-tert-butylpyrrolidin-3-yl]-4-fluoropiperidine has a molecular weight of 228.35 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-tert-butylpyrrolidin-3-yl]-4-fluoropiperidine is sourced from PubChem (CID 167291830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).