[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone

C17H24ClN3O2 — CID 119852095

IUPAC[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
SMILESCC(c1ccccc1Cl)N1CCN(C(=O)C2CC(O)CN2)CC1
InChIInChI=1S/C17H24ClN3O2/c1-12(14-4-2-3-5-15(14)18)20-6-8-21(9-7-20)17(23)16-10-13(22)11-19-16/h2-5,12-13,16,19,22H,6-11H2,1H3
InChIKeyMKZAWBJFISSBJT-UHFFFAOYSA-N
MW337.85 g/mol
LogP1.27
Rot. Bonds3

About [4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone

[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone (PubChem CID 119852095) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is [4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
PubChem CID119852095
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
SMILESCC(c1ccccc1Cl)N1CCN(C(=O)C2CC(O)CN2)CC1
InChIInChI=1S/C17H24ClN3O2/c1-12(14-4-2-3-5-15(14)18)20-6-8-21(9-7-20)17(23)16-10-13(22)11-19-16/h2-5,12-13,16,19,22H,6-11H2,1H3
InChIKeyMKZAWBJFISSBJT-UHFFFAOYSA-N
XLogP1.27
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone;dihydrochloride
CID 119877516
(2-chlorophenyl)-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone
CID 55362493
N-[(1R)-1-(2-chlorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 81378542
2-[4-(4-hydroxypyrrolidine-2-carbonyl)piperazin-1-yl]propanoic acid
CID 62311887
[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
CID 119756635
[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 46585046
[(2S,4R)-4-hydroxypyrrolidin-2-yl]-(4-propan-2-yl-1,4-diazepan-1-yl)methanone;dihydrochloride
CID 154914601
2-amino-1-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-2-methylpropan-1-one
CID 119852079
(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(4-hydroxypyrrolidin-2-yl)methanone
CID 119779113
[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone
CID 56786100
[4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone
CID 95619699
azepan-1-yl-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone
CID 28943560

Frequently Asked Questions

What is the IUPAC name of [4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone?
The IUPAC name of [4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone (CID 119852095) is [4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone.
What is the SMILES notation for [4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone?
The canonical SMILES for [4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone is CC(c1ccccc1Cl)N1CCN(C(=O)C2CC(O)CN2)CC1.
What is the InChIKey of [4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone?
The InChIKey is MKZAWBJFISSBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c1-12(14-4-2-3-5-15(14)18)20-6-8-21(9-7-20)17(23)16-10-13(22)11-19-16/h2-5,12-13,16,19,22H,6-11H2,1H3.
What are the key properties of [4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone?
[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone has a molecular weight of 337.85 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone is sourced from PubChem (CID 119852095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).