[(3R,4R)-1-[1-(4-fluorophenyl)piperidin-4-yl]-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-yl]methanol

C22H35FN4O — CID 72907482

IUPAC[(3R,4R)-1-[1-(4-fluorophenyl)piperidin-4-yl]-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-yl]methanol
SMILESCN1CCN(C[C@@H]2CN(C3CCN(c4ccc(F)cc4)CC3)C[C@@H]2CO)CC1
InChIInChI=1S/C22H35FN4O/c1-24-10-12-25(13-11-24)14-18-15-27(16-19(18)17-28)22-6-8-26(9-7-22)21-4-2-20(23)3-5-21/h2-5,18-19,22,28H,6-17H2,1H3/t18-,19-/m1/s1
InChIKeyFYKMIKTXYZVXDZ-RTBURBONSA-N
MW390.55 g/mol
LogP1.58
Rot. Bonds5

About [(3R,4R)-1-[1-(4-fluorophenyl)piperidin-4-yl]-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-yl]methanol

[(3R,4R)-1-[1-(4-fluorophenyl)piperidin-4-yl]-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-yl]methanol (PubChem CID 72907482) has the molecular formula C22H35FN4O and a molecular weight of 390.55 g/mol. Its IUPAC name is [(3R,4R)-1-[1-(4-fluorophenyl)piperidin-4-yl]-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4R)-1-[1-(4-fluorophenyl)piperidin-4-yl]-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-yl]methanol
PubChem CID72907482
Molecular FormulaC22H35FN4O
Molecular Weight390.55 g/mol
Exact Mass390.28
IUPAC Name[(3R,4R)-1-[1-(4-fluorophenyl)piperidin-4-yl]-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-yl]methanol
SMILESCN1CCN(C[C@@H]2CN(C3CCN(c4ccc(F)cc4)CC3)C[C@@H]2CO)CC1
InChIInChI=1S/C22H35FN4O/c1-24-10-12-25(13-11-24)14-18-15-27(16-19(18)17-28)22-6-8-26(9-7-22)21-4-2-20(23)3-5-21/h2-5,18-19,22,28H,6-17H2,1H3/t18-,19-/m1/s1
InChIKeyFYKMIKTXYZVXDZ-RTBURBONSA-N
XLogP1.58
TPSA33.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.55
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3R,4R)-1-[1-(4-fluorophenyl)piperidin-4-yl]-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-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

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-1-[1-(4-fluorophenyl)piperidin-4-yl]-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [(3R,4R)-1-[1-(4-fluorophenyl)piperidin-4-yl]-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-yl]methanol (CID 72907482) is [(3R,4R)-1-[1-(4-fluorophenyl)piperidin-4-yl]-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R,4R)-1-[1-(4-fluorophenyl)piperidin-4-yl]-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R,4R)-1-[1-(4-fluorophenyl)piperidin-4-yl]-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-yl]methanol is CN1CCN(C[C@@H]2CN(C3CCN(c4ccc(F)cc4)CC3)C[C@@H]2CO)CC1.
What is the InChIKey of [(3R,4R)-1-[1-(4-fluorophenyl)piperidin-4-yl]-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-yl]methanol?
The InChIKey is FYKMIKTXYZVXDZ-RTBURBONSA-N. The full InChI is InChI=1S/C22H35FN4O/c1-24-10-12-25(13-11-24)14-18-15-27(16-19(18)17-28)22-6-8-26(9-7-22)21-4-2-20(23)3-5-21/h2-5,18-19,22,28H,6-17H2,1H3/t18-,19-/m1/s1.
What are the key properties of [(3R,4R)-1-[1-(4-fluorophenyl)piperidin-4-yl]-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-yl]methanol?
[(3R,4R)-1-[1-(4-fluorophenyl)piperidin-4-yl]-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-yl]methanol has a molecular weight of 390.55 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-1-[1-(4-fluorophenyl)piperidin-4-yl]-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 72907482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).