[(3R,5S)-1-[3-(4-fluorophenyl)prop-2-enyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol

C20H29FN2O2 — CID 91940167

IUPAC[(3R,5S)-1-[3-(4-fluorophenyl)prop-2-enyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol
SMILESOC[C@@H]1C[C@H](CN2CCOCC2)CN(CC=Cc2ccc(F)cc2)C1
InChIInChI=1S/C20H29FN2O2/c21-20-5-3-17(4-6-20)2-1-7-23-14-18(12-19(15-23)16-24)13-22-8-10-25-11-9-22/h1-6,18-19,24H,7-16H2/t18-,19-/m1/s1
InChIKeyHXJIXDAJZNUKKN-RTBURBONSA-N
MW348.46 g/mol
LogP2.10
Rot. Bonds6

About [(3R,5S)-1-[3-(4-fluorophenyl)prop-2-enyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol

[(3R,5S)-1-[3-(4-fluorophenyl)prop-2-enyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol (PubChem CID 91940167) has the molecular formula C20H29FN2O2 and a molecular weight of 348.46 g/mol. Its IUPAC name is [(3R,5S)-1-[3-(4-fluorophenyl)prop-2-enyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,5S)-1-[3-(4-fluorophenyl)prop-2-enyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol
PubChem CID91940167
Molecular FormulaC20H29FN2O2
Molecular Weight348.46 g/mol
Exact Mass348.22
IUPAC Name[(3R,5S)-1-[3-(4-fluorophenyl)prop-2-enyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol
SMILESOC[C@@H]1C[C@H](CN2CCOCC2)CN(CC=Cc2ccc(F)cc2)C1
InChIInChI=1S/C20H29FN2O2/c21-20-5-3-17(4-6-20)2-1-7-23-14-18(12-19(15-23)16-24)13-22-8-10-25-11-9-22/h1-6,18-19,24H,7-16H2/t18-,19-/m1/s1
InChIKeyHXJIXDAJZNUKKN-RTBURBONSA-N
XLogP2.10
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.46
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3R,5S)-1-[3-(4-fluorophenyl)prop-2-enyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(4-fluorophenyl)prop-2-enyl]-4-(oxolan-3-ylmethyl)piperazine
CID 127264798
1-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]-2-phenylethanone
CID 72841875
4-[(E)-3-morpholin-4-ylprop-1-enyl]aniline
CID 121451952
ethane;4-[(E)-3-(4-methylphenyl)prop-2-enyl]morpholine
CID 143719420
[(3S,5R)-1-[(3-methylquinoxalin-2-yl)methyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol
CID 133120430
[(3S,5R)-5-(morpholin-4-ylmethyl)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]methanol
CID 72940984
[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
CID 72837140
3-(ethoxymethyl)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidine
CID 122158319
2-[(2R)-1-(cyclohexylmethyl)-4-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperazin-2-yl]ethanol
CID 51634282
1-[3-(4-fluorophenyl)prop-2-enyl]-1,4-diazepane
CID 91941402
N,N-dimethyl-4-[(E)-3-morpholin-4-ylprop-1-enyl]aniline
CID 30981297
[(3R)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methanol
CID 129367097

Frequently Asked Questions

What is the IUPAC name of [(3R,5S)-1-[3-(4-fluorophenyl)prop-2-enyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol?
The IUPAC name of [(3R,5S)-1-[3-(4-fluorophenyl)prop-2-enyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol (CID 91940167) is [(3R,5S)-1-[3-(4-fluorophenyl)prop-2-enyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol.
What is the SMILES notation for [(3R,5S)-1-[3-(4-fluorophenyl)prop-2-enyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol?
The canonical SMILES for [(3R,5S)-1-[3-(4-fluorophenyl)prop-2-enyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol is OC[C@@H]1C[C@H](CN2CCOCC2)CN(CC=Cc2ccc(F)cc2)C1.
What is the InChIKey of [(3R,5S)-1-[3-(4-fluorophenyl)prop-2-enyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol?
The InChIKey is HXJIXDAJZNUKKN-RTBURBONSA-N. The full InChI is InChI=1S/C20H29FN2O2/c21-20-5-3-17(4-6-20)2-1-7-23-14-18(12-19(15-23)16-24)13-22-8-10-25-11-9-22/h1-6,18-19,24H,7-16H2/t18-,19-/m1/s1.
What are the key properties of [(3R,5S)-1-[3-(4-fluorophenyl)prop-2-enyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol?
[(3R,5S)-1-[3-(4-fluorophenyl)prop-2-enyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol has a molecular weight of 348.46 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5S)-1-[3-(4-fluorophenyl)prop-2-enyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol is sourced from PubChem (CID 91940167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).