[2-(3-chlorophenyl)cyclopropyl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone

C17H23ClN2O2 — CID 56779940

IUPAC[2-(3-chlorophenyl)cyclopropyl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
SMILESCC(O)CN1CCN(C(=O)C2CC2c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H23ClN2O2/c1-12(21)11-19-5-7-20(8-6-19)17(22)16-10-15(16)13-3-2-4-14(18)9-13/h2-4,9,12,15-16,21H,5-8,10-11H2,1H3
InChIKeyCPKDBWAWEMMFDN-UHFFFAOYSA-N
MW322.84 g/mol
LogP1.97
Rot. Bonds4

About [2-(3-chlorophenyl)cyclopropyl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone

[2-(3-chlorophenyl)cyclopropyl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone (PubChem CID 56779940) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is [2-(3-chlorophenyl)cyclopropyl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(3-chlorophenyl)cyclopropyl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
PubChem CID56779940
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name[2-(3-chlorophenyl)cyclopropyl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
SMILESCC(O)CN1CCN(C(=O)C2CC2c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H23ClN2O2/c1-12(21)11-19-5-7-20(8-6-19)17(22)16-10-15(16)13-3-2-4-14(18)9-13/h2-4,9,12,15-16,21H,5-8,10-11H2,1H3
InChIKeyCPKDBWAWEMMFDN-UHFFFAOYSA-N
XLogP1.97
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(3-chlorophenyl)cyclopropyl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone?
The IUPAC name of [2-(3-chlorophenyl)cyclopropyl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone (CID 56779940) is [2-(3-chlorophenyl)cyclopropyl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-(3-chlorophenyl)cyclopropyl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone?
The canonical SMILES for [2-(3-chlorophenyl)cyclopropyl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone is CC(O)CN1CCN(C(=O)C2CC2c2cccc(Cl)c2)CC1.
What is the InChIKey of [2-(3-chlorophenyl)cyclopropyl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone?
The InChIKey is CPKDBWAWEMMFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c1-12(21)11-19-5-7-20(8-6-19)17(22)16-10-15(16)13-3-2-4-14(18)9-13/h2-4,9,12,15-16,21H,5-8,10-11H2,1H3.
What are the key properties of [2-(3-chlorophenyl)cyclopropyl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone?
[2-(3-chlorophenyl)cyclopropyl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone has a molecular weight of 322.84 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chlorophenyl)cyclopropyl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 56779940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).