[4-(2-hydroxyethyl)piperazin-1-yl]-[(2R,5R)-5-phenylpyrrolidin-2-yl]methanone;dihydrochloride

C17H27Cl2N3O2 — CID 154924091

IUPAC[4-(2-hydroxyethyl)piperazin-1-yl]-[(2R,5R)-5-phenylpyrrolidin-2-yl]methanone;dihydrochloride
SMILESCl.Cl.O=C([C@H]1CC[C@H](c2ccccc2)N1)N1CCN(CCO)CC1
InChIInChI=1S/C17H25N3O2.2ClH/c21-13-12-19-8-10-20(11-9-19)17(22)16-7-6-15(18-16)14-4-2-1-3-5-14;;/h1-5,15-16,18,21H,6-13H2;2*1H/t15-,16-;;/m1../s1
InChIKeyHBPSNUJNJMWLAB-UWGSCQAASA-N
MW376.33 g/mol
LogP1.46
Rot. Bonds4

About [4-(2-hydroxyethyl)piperazin-1-yl]-[(2R,5R)-5-phenylpyrrolidin-2-yl]methanone;dihydrochloride

[4-(2-hydroxyethyl)piperazin-1-yl]-[(2R,5R)-5-phenylpyrrolidin-2-yl]methanone;dihydrochloride (PubChem CID 154924091) has the molecular formula C17H27Cl2N3O2 and a molecular weight of 376.33 g/mol. Its IUPAC name is [4-(2-hydroxyethyl)piperazin-1-yl]-[(2R,5R)-5-phenylpyrrolidin-2-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name[4-(2-hydroxyethyl)piperazin-1-yl]-[(2R,5R)-5-phenylpyrrolidin-2-yl]methanone;dihydrochloride
PubChem CID154924091
Molecular FormulaC17H27Cl2N3O2
Molecular Weight376.33 g/mol
Exact Mass375.15
IUPAC Name[4-(2-hydroxyethyl)piperazin-1-yl]-[(2R,5R)-5-phenylpyrrolidin-2-yl]methanone;dihydrochloride
SMILESCl.Cl.O=C([C@H]1CC[C@H](c2ccccc2)N1)N1CCN(CCO)CC1
InChIInChI=1S/C17H25N3O2.2ClH/c21-13-12-19-8-10-20(11-9-19)17(22)16-7-6-15(18-16)14-4-2-1-3-5-14;;/h1-5,15-16,18,21H,6-13H2;2*1H/t15-,16-;;/m1../s1
InChIKeyHBPSNUJNJMWLAB-UWGSCQAASA-N
XLogP1.46
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-(2-hydroxyethyl)piperazin-1-yl]-[(2R,5R)-5-phenylpyrrolidin-2-yl]methanone;dihydrochloride 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

[(2R,5R)-5-phenylpyrrolidin-2-yl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
CID 155493050
[4-(2-hydroxyethyl)piperazin-1-yl]-[(1S,3S,8R)-3-phenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanone
CID 118789504
methyl 5-[(2R,5R)-5-phenylpyrrolidine-2-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate;hydrochloride
CID 155938934
(2S,5R)-N-methyl-5-phenylpyrrolidine-2-carboxamide;hydrochloride
CID 146049803
7-[(2R,5R)-5-phenylpyrrolidine-2-carbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 155495679
[4-(2-hydroxyethyl)piperazin-1-yl]-piperidin-2-ylmethanone
CID 43501381
methyl 5-phenylpyrrolidine-2-carboxylate
CID 67257959
2-[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]benzoic acid
CID 107214390
1-[4-(5-phenylpyrazolidine-3-carbonyl)piperazin-1-yl]ethanone
CID 52987096
2-methyl-1'-[(2R,5R)-5-phenylpyrrolidine-2-carbonyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155498502
4-(2-hydroxyethyl)-N-[2-(3-phenylpiperidin-1-yl)ethyl]piperazine-1-carboxamide
CID 121495919
[4-(2-phenoxyethyl)piperazin-1-yl]-piperidin-2-ylmethanone;dihydrochloride
CID 119832969

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxyethyl)piperazin-1-yl]-[(2R,5R)-5-phenylpyrrolidin-2-yl]methanone;dihydrochloride?
The IUPAC name of [4-(2-hydroxyethyl)piperazin-1-yl]-[(2R,5R)-5-phenylpyrrolidin-2-yl]methanone;dihydrochloride (CID 154924091) is [4-(2-hydroxyethyl)piperazin-1-yl]-[(2R,5R)-5-phenylpyrrolidin-2-yl]methanone;dihydrochloride.
What is the SMILES notation for [4-(2-hydroxyethyl)piperazin-1-yl]-[(2R,5R)-5-phenylpyrrolidin-2-yl]methanone;dihydrochloride?
The canonical SMILES for [4-(2-hydroxyethyl)piperazin-1-yl]-[(2R,5R)-5-phenylpyrrolidin-2-yl]methanone;dihydrochloride is Cl.Cl.O=C([C@H]1CC[C@H](c2ccccc2)N1)N1CCN(CCO)CC1.
What is the InChIKey of [4-(2-hydroxyethyl)piperazin-1-yl]-[(2R,5R)-5-phenylpyrrolidin-2-yl]methanone;dihydrochloride?
The InChIKey is HBPSNUJNJMWLAB-UWGSCQAASA-N. The full InChI is InChI=1S/C17H25N3O2.2ClH/c21-13-12-19-8-10-20(11-9-19)17(22)16-7-6-15(18-16)14-4-2-1-3-5-14;;/h1-5,15-16,18,21H,6-13H2;2*1H/t15-,16-;;/m1../s1.
What are the key properties of [4-(2-hydroxyethyl)piperazin-1-yl]-[(2R,5R)-5-phenylpyrrolidin-2-yl]methanone;dihydrochloride?
[4-(2-hydroxyethyl)piperazin-1-yl]-[(2R,5R)-5-phenylpyrrolidin-2-yl]methanone;dihydrochloride has a molecular weight of 376.33 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxyethyl)piperazin-1-yl]-[(2R,5R)-5-phenylpyrrolidin-2-yl]methanone;dihydrochloride is sourced from PubChem (CID 154924091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).