(3R,4R)-1-[(2-fluorophenyl)methyl]-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol

C17H25FN2O — CID 91653984

IUPAC(3R,4R)-1-[(2-fluorophenyl)methyl]-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol
SMILESC[C@@]1(O)CCN(Cc2ccccc2F)C[C@H]1N1CCCC1
InChIInChI=1S/C17H25FN2O/c1-17(21)8-11-19(12-14-6-2-3-7-15(14)18)13-16(17)20-9-4-5-10-20/h2-3,6-7,16,21H,4-5,8-13H2,1H3/t16-,17-/m1/s1
InChIKeyWJONJOASPWTMND-IAGOWNOFSA-N
MW292.40 g/mol
LogP2.25
Rot. Bonds3

About (3R,4R)-1-[(2-fluorophenyl)methyl]-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol

(3R,4R)-1-[(2-fluorophenyl)methyl]-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol (PubChem CID 91653984) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is (3R,4R)-1-[(2-fluorophenyl)methyl]-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol.

Molecular Properties

Compound Name(3R,4R)-1-[(2-fluorophenyl)methyl]-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol
PubChem CID91653984
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name(3R,4R)-1-[(2-fluorophenyl)methyl]-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol
SMILESC[C@@]1(O)CCN(Cc2ccccc2F)C[C@H]1N1CCCC1
InChIInChI=1S/C17H25FN2O/c1-17(21)8-11-19(12-14-6-2-3-7-15(14)18)13-16(17)20-9-4-5-10-20/h2-3,6-7,16,21H,4-5,8-13H2,1H3/t16-,17-/m1/s1
InChIKeyWJONJOASPWTMND-IAGOWNOFSA-N
XLogP2.25
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-1,4-dibenzylpiperazin-2-yl]methanol
CID 9994741
1-(4-Fluorobenzyl)-4-(2-Hydroxyethyl)Piperazine
CID 693807
1-(4-Fluoro-2-methylbenzyl)-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol
CID 70770593
2-[(2S)-1-benzyl-4-butylpiperazin-2-yl]ethanol
CID 90655533
4-((2-Fluorophenyl)methyl)-1-piperazineethanol
CID 2795688
2-(1-Benzylpyrrolidin-2-yl)propan-2-ol
CID 22278632
(1-Benzyl-4-methylpiperazin-2-yl)methanol
CID 76675584
2-[4-(3-Fluorobenzyl)piperazino]ethan-1-ol
CID 735735
2-[4-[1-[(2-Fluorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]ethanol
CID 762881
2-[4-[(3,4-Difluorophenyl)methyl]piperazin-1-yl]ethanol
CID 779078
2-{4-[1-(4-Fluorobenzyl)piperidin-4-yl]piperazin-1-yl}ethanol
CID 1121660
2-[4-[(2,4-Difluorophenyl)methyl]piperazin-1-yl]ethanol
CID 2057631

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[(2-fluorophenyl)methyl]-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol?
The IUPAC name of (3R,4R)-1-[(2-fluorophenyl)methyl]-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol (CID 91653984) is (3R,4R)-1-[(2-fluorophenyl)methyl]-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol.
What is the SMILES notation for (3R,4R)-1-[(2-fluorophenyl)methyl]-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol?
The canonical SMILES for (3R,4R)-1-[(2-fluorophenyl)methyl]-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol is C[C@@]1(O)CCN(Cc2ccccc2F)C[C@H]1N1CCCC1.
What is the InChIKey of (3R,4R)-1-[(2-fluorophenyl)methyl]-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol?
The InChIKey is WJONJOASPWTMND-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-17(21)8-11-19(12-14-6-2-3-7-15(14)18)13-16(17)20-9-4-5-10-20/h2-3,6-7,16,21H,4-5,8-13H2,1H3/t16-,17-/m1/s1.
What are the key properties of (3R,4R)-1-[(2-fluorophenyl)methyl]-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol?
(3R,4R)-1-[(2-fluorophenyl)methyl]-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol has a molecular weight of 292.40 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-[(2-fluorophenyl)methyl]-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol is sourced from PubChem (CID 91653984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).