[(2R,4S)-4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol

C11H21FN2O — CID 118303277

IUPAC[(2R,4S)-4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol
SMILESCN1CCC(N2C[C@@H](F)C[C@@H]2CO)CC1
InChIInChI=1S/C11H21FN2O/c1-13-4-2-10(3-5-13)14-7-9(12)6-11(14)8-15/h9-11,15H,2-8H2,1H3/t9-,11+/m0/s1
InChIKeyBABIPJLRBBAKEY-GXSJLCMTSA-N
MW216.30 g/mol
LogP0.49
Rot. Bonds2

About [(2R,4S)-4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol

[(2R,4S)-4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol (PubChem CID 118303277) has the molecular formula C11H21FN2O and a molecular weight of 216.30 g/mol. Its IUPAC name is [(2R,4S)-4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R,4S)-4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol
PubChem CID118303277
Molecular FormulaC11H21FN2O
Molecular Weight216.30 g/mol
Exact Mass216.16
IUPAC Name[(2R,4S)-4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol
SMILESCN1CCC(N2C[C@@H](F)C[C@@H]2CO)CC1
InChIInChI=1S/C11H21FN2O/c1-13-4-2-10(3-5-13)14-7-9(12)6-11(14)8-15/h9-11,15H,2-8H2,1H3/t9-,11+/m0/s1
InChIKeyBABIPJLRBBAKEY-GXSJLCMTSA-N
XLogP0.49
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-Propylpyrrolidin-2-yl)methanol
CID 23383549
((2S,4R)-4-Fluoro-1-methylpyrrolidin-2-yl)methanol
CID 60002592
[(2S,4S)-4-fluoro-1-methyl-pyrrolidin-2-yl]methanol
CID 60002610
[(2R,4R)-4-fluoro-1-methyl-pyrrolidin-2-yl]methanol
CID 72619547
(1-Tert-butyl-4-fluoropyrrolidin-2-yl)methanol
CID 77284419
[1-(3-Fluoropropyl)pyrrolidin-2-yl]methanol
CID 81113428
[(2R,4S)-4-fluoro-1-methyl-pyrrolidin-2-yl]methanol
CID 89026110
[(2R)-4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol
CID 118303271
1-[(2R)-4,4-difluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]ethanol
CID 118303296
4-[(2R)-4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]-1-methylpiperidine
CID 118303310
(4,4-Difluoro-1-(piperidin-4-yl)pyrrolidin-2-yl)methanol
CID 121204083
[4,4-Difluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol
CID 123354092

Frequently Asked Questions

What is the IUPAC name of [(2R,4S)-4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R,4S)-4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol (CID 118303277) is [(2R,4S)-4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R,4S)-4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R,4S)-4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol is CN1CCC(N2C[C@@H](F)C[C@@H]2CO)CC1.
What is the InChIKey of [(2R,4S)-4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol?
The InChIKey is BABIPJLRBBAKEY-GXSJLCMTSA-N. The full InChI is InChI=1S/C11H21FN2O/c1-13-4-2-10(3-5-13)14-7-9(12)6-11(14)8-15/h9-11,15H,2-8H2,1H3/t9-,11+/m0/s1.
What are the key properties of [(2R,4S)-4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol?
[(2R,4S)-4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol has a molecular weight of 216.30 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S)-4-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 118303277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).