(2,5-dichlorophenyl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone

C14H18Cl2N2O2 — CID 95337497

IUPAC(2,5-dichlorophenyl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone
SMILESC[C@H](O)CN1CCN(C(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C14H18Cl2N2O2/c1-10(19)9-17-4-6-18(7-5-17)14(20)12-8-11(15)2-3-13(12)16/h2-3,8,10,19H,4-7,9H2,1H3/t10-/m0/s1
InChIKeyZLQGTNPKUXNZSW-JTQLQIEISA-N
MW317.22 g/mol
LogP2.13
Rot. Bonds3

About (2,5-dichlorophenyl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone

(2,5-dichlorophenyl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone (PubChem CID 95337497) has the molecular formula C14H18Cl2N2O2 and a molecular weight of 317.22 g/mol. Its IUPAC name is (2,5-dichlorophenyl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dichlorophenyl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone
PubChem CID95337497
Molecular FormulaC14H18Cl2N2O2
Molecular Weight317.22 g/mol
Exact Mass316.07
IUPAC Name(2,5-dichlorophenyl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone
SMILESC[C@H](O)CN1CCN(C(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C14H18Cl2N2O2/c1-10(19)9-17-4-6-18(7-5-17)14(20)12-8-11(15)2-3-13(12)16/h2-3,8,10,19H,4-7,9H2,1H3/t10-/m0/s1
InChIKeyZLQGTNPKUXNZSW-JTQLQIEISA-N
XLogP2.13
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-2-fluorophenyl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95351618
(5-chloro-2-propan-2-yloxyphenyl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56779930
(2,4-dichlorophenyl)-[4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-1-yl]methanone
CID 78866935
(2,4-dichlorophenyl)-[4-(2-hydroxybutyl)piperazin-1-yl]methanone
CID 111105857
(5-chloro-1-benzofuran-2-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95606878
(2-chloro-5-methylsulfanylphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 112765531
(2,4-dimethylphenyl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56779839
2-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]propanenitrile
CID 63337547
(4-chloro-1-methylpyrrol-2-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95353536
(2-bromophenyl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56779831
(5-chloro-2-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 60675583
[4-[5-chloro-2-(2-methylpropoxy)benzoyl]piperazin-1-yl]-[5-chloro-2-(2-methylpropoxy)phenyl]methanone
CID 51059993

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorophenyl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone?
The IUPAC name of (2,5-dichlorophenyl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone (CID 95337497) is (2,5-dichlorophenyl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2,5-dichlorophenyl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone?
The canonical SMILES for (2,5-dichlorophenyl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone is C[C@H](O)CN1CCN(C(=O)c2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of (2,5-dichlorophenyl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone?
The InChIKey is ZLQGTNPKUXNZSW-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18Cl2N2O2/c1-10(19)9-17-4-6-18(7-5-17)14(20)12-8-11(15)2-3-13(12)16/h2-3,8,10,19H,4-7,9H2,1H3/t10-/m0/s1.
What are the key properties of (2,5-dichlorophenyl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone?
(2,5-dichlorophenyl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone has a molecular weight of 317.22 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorophenyl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone is sourced from PubChem (CID 95337497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).