1-[4-[(2R)-3-chloro-2-hydroxypropyl]piperazin-1-yl]-2,2-diphenylethanone

C21H25ClN2O2 — CID 139637301

IUPAC1-[4-[(2R)-3-chloro-2-hydroxypropyl]piperazin-1-yl]-2,2-diphenylethanone
SMILESO=C(C(c1ccccc1)c1ccccc1)N1CCN(C[C@@H](O)CCl)CC1
InChIInChI=1S/C21H25ClN2O2/c22-15-19(25)16-23-11-13-24(14-12-23)21(26)20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19-20,25H,11-16H2/t19-/m0/s1
InChIKeyZLZNQHWCPYLPFS-IBGZPJMESA-N
MW372.90 g/mol
LogP2.56
Rot. Bonds6

About 1-[4-[(2R)-3-chloro-2-hydroxypropyl]piperazin-1-yl]-2,2-diphenylethanone

1-[4-[(2R)-3-chloro-2-hydroxypropyl]piperazin-1-yl]-2,2-diphenylethanone (PubChem CID 139637301) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is 1-[4-[(2R)-3-chloro-2-hydroxypropyl]piperazin-1-yl]-2,2-diphenylethanone.

Molecular Properties

Compound Name1-[4-[(2R)-3-chloro-2-hydroxypropyl]piperazin-1-yl]-2,2-diphenylethanone
PubChem CID139637301
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name1-[4-[(2R)-3-chloro-2-hydroxypropyl]piperazin-1-yl]-2,2-diphenylethanone
SMILESO=C(C(c1ccccc1)c1ccccc1)N1CCN(C[C@@H](O)CCl)CC1
InChIInChI=1S/C21H25ClN2O2/c22-15-19(25)16-23-11-13-24(14-12-23)21(26)20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19-20,25H,11-16H2/t19-/m0/s1
InChIKeyZLZNQHWCPYLPFS-IBGZPJMESA-N
XLogP2.56
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethylpiperazin-1-yl)-2,2-diphenylethanone
CID 2303179
2,2-diphenyl-1-(4-propylpiperazin-1-yl)ethanone
CID 11232518
1-[4-(2,2-diphenylacetyl)-1,4-diazepan-1-yl]-2,2-diphenylethanone
CID 5069183
1-(4-benzylpiperazin-1-yl)-3-chloropropan-2-ol
CID 11777838
1-[4-(2-methylsulfonylethyl)piperazin-1-yl]-2,2-diphenylethanone
CID 95753443
2,2-diphenyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 2838766
N-[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]ethyl]acetamide
CID 70630292
1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2,2-diphenylethanone
CID 1131695
1-[4-[(4-tert-butylphenyl)methyl]-1,4-diazepan-1-yl]-2,2-diphenylethanone
CID 23907830
2,2-diphenyl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone
CID 90508606
methyl 4-(2,2-diphenylacetyl)piperazine-1-carboxylate
CID 110818280
1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2,2-diphenylethanone
CID 108533859

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2R)-3-chloro-2-hydroxypropyl]piperazin-1-yl]-2,2-diphenylethanone?
The IUPAC name of 1-[4-[(2R)-3-chloro-2-hydroxypropyl]piperazin-1-yl]-2,2-diphenylethanone (CID 139637301) is 1-[4-[(2R)-3-chloro-2-hydroxypropyl]piperazin-1-yl]-2,2-diphenylethanone.
What is the SMILES notation for 1-[4-[(2R)-3-chloro-2-hydroxypropyl]piperazin-1-yl]-2,2-diphenylethanone?
The canonical SMILES for 1-[4-[(2R)-3-chloro-2-hydroxypropyl]piperazin-1-yl]-2,2-diphenylethanone is O=C(C(c1ccccc1)c1ccccc1)N1CCN(C[C@@H](O)CCl)CC1.
What is the InChIKey of 1-[4-[(2R)-3-chloro-2-hydroxypropyl]piperazin-1-yl]-2,2-diphenylethanone?
The InChIKey is ZLZNQHWCPYLPFS-IBGZPJMESA-N. The full InChI is InChI=1S/C21H25ClN2O2/c22-15-19(25)16-23-11-13-24(14-12-23)21(26)20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19-20,25H,11-16H2/t19-/m0/s1.
What are the key properties of 1-[4-[(2R)-3-chloro-2-hydroxypropyl]piperazin-1-yl]-2,2-diphenylethanone?
1-[4-[(2R)-3-chloro-2-hydroxypropyl]piperazin-1-yl]-2,2-diphenylethanone has a molecular weight of 372.90 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2R)-3-chloro-2-hydroxypropyl]piperazin-1-yl]-2,2-diphenylethanone is sourced from PubChem (CID 139637301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).