(3R,4R)-4-fluoro-1-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]pyrrolidin-3-ol

C15H23FN2OS — CID 131929066

IUPAC(3R,4R)-4-fluoro-1-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]pyrrolidin-3-ol
SMILESO[C@@H]1CN(Cc2cc(CN3CCCCC3)cs2)C[C@H]1F
InChIInChI=1S/C15H23FN2OS/c16-14-9-18(10-15(14)19)8-13-6-12(11-20-13)7-17-4-2-1-3-5-17/h6,11,14-15,19H,1-5,7-10H2/t14-,15-/m1/s1
InChIKeyFDHIWSLBNOGDIC-HUUCEWRRSA-N
MW298.43 g/mol
LogP2.25
Rot. Bonds4

About (3R,4R)-4-fluoro-1-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]pyrrolidin-3-ol

(3R,4R)-4-fluoro-1-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]pyrrolidin-3-ol (PubChem CID 131929066) has the molecular formula C15H23FN2OS and a molecular weight of 298.43 g/mol. Its IUPAC name is (3R,4R)-4-fluoro-1-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-fluoro-1-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]pyrrolidin-3-ol
PubChem CID131929066
Molecular FormulaC15H23FN2OS
Molecular Weight298.43 g/mol
Exact Mass298.15
IUPAC Name(3R,4R)-4-fluoro-1-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]pyrrolidin-3-ol
SMILESO[C@@H]1CN(Cc2cc(CN3CCCCC3)cs2)C[C@H]1F
InChIInChI=1S/C15H23FN2OS/c16-14-9-18(10-15(14)19)8-13-6-12(11-20-13)7-17-4-2-1-3-5-17/h6,11,14-15,19H,1-5,7-10H2/t14-,15-/m1/s1
InChIKeyFDHIWSLBNOGDIC-HUUCEWRRSA-N
XLogP2.25
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R,4R)-4-fluoro-1-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]pyrrolidin-3-ol with MolForge

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Related Compounds

2-[4-[(3-Methylthiophen-2-yl)methyl]piperazin-1-yl]ethanol
CID 779464
[1-[(3-Methyl-2-thienyl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol
CID 91777986
4-Methyl-1-[(3-methylthiophen-2-yl)methyl]-3-pyrrolidin-1-ylpiperidin-4-ol
CID 156601740
4-Methyl-3-pyrrolidin-1-yl-1-(thiophen-2-ylmethyl)piperidin-4-ol
CID 156601744
1-[(4-Fluorobenzyl)(3-thienylmethyl)amino]-5-hexen-2-ol
CID 46007301
1-[(4-Fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]butan-2-ol
CID 46007798
(3S,4S)-4-fluoro-1-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]pyrrolidin-3-ol
CID 164629384
(3S,4S)-4-fluoro-1-[[5-(2-methylpropyl)thiophen-2-yl]methyl]pyrrolidin-3-ol
CID 164636285
3-[Benzyl(2-thienylmethyl)amino]-1,1,1-trifluoro-2-propanol
CID 3737502
(2S)-3-[benzyl(thiophen-2-ylmethyl)amino]-1,1,1-trifluoropropan-2-ol
CID 7086176
(2R)-3-[benzyl(thiophen-2-ylmethyl)amino]-1,1,1-trifluoropropan-2-ol
CID 7086178
1-[(4-Fluorophenyl)methyl-(thiophen-3-ylmethyl)amino]propan-2-ol
CID 24713677

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-fluoro-1-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-4-fluoro-1-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]pyrrolidin-3-ol (CID 131929066) is (3R,4R)-4-fluoro-1-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-4-fluoro-1-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-4-fluoro-1-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]pyrrolidin-3-ol is O[C@@H]1CN(Cc2cc(CN3CCCCC3)cs2)C[C@H]1F.
What is the InChIKey of (3R,4R)-4-fluoro-1-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]pyrrolidin-3-ol?
The InChIKey is FDHIWSLBNOGDIC-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H23FN2OS/c16-14-9-18(10-15(14)19)8-13-6-12(11-20-13)7-17-4-2-1-3-5-17/h6,11,14-15,19H,1-5,7-10H2/t14-,15-/m1/s1.
What are the key properties of (3R,4R)-4-fluoro-1-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]pyrrolidin-3-ol?
(3R,4R)-4-fluoro-1-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]pyrrolidin-3-ol has a molecular weight of 298.43 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-fluoro-1-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 131929066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).