1-(2,3-dichlorophenyl)piperazine;3-hydroxy-1H-pyridin-2-one;pentane

C20H29Cl2N3O2 — CID 142979827

IUPAC1-(2,3-dichlorophenyl)piperazine;3-hydroxy-1H-pyridin-2-one;pentane
SMILESCCCCC.Clc1cccc(N2CCNCC2)c1Cl.O=c1[nH]cccc1O
InChIInChI=1S/C10H12Cl2N2.C5H5NO2.C5H12/c11-8-2-1-3-9(10(8)12)14-6-4-13-5-7-14;7-4-2-1-3-6-5(4)8;1-3-5-4-2/h1-3,13H,4-7H2;1-3,7H,(H,6,8);3-5H2,1-2H3
InChIKeyPDXOCEHJNGIJSR-UHFFFAOYSA-N
MW414.38 g/mol
LogP4.68
Rot. Bonds3

About 1-(2,3-dichlorophenyl)piperazine;3-hydroxy-1H-pyridin-2-one;pentane

1-(2,3-dichlorophenyl)piperazine;3-hydroxy-1H-pyridin-2-one;pentane (PubChem CID 142979827) has the molecular formula C20H29Cl2N3O2 and a molecular weight of 414.38 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)piperazine;3-hydroxy-1H-pyridin-2-one;pentane.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)piperazine;3-hydroxy-1H-pyridin-2-one;pentane
PubChem CID142979827
Molecular FormulaC20H29Cl2N3O2
Molecular Weight414.38 g/mol
Exact Mass413.16
IUPAC Name1-(2,3-dichlorophenyl)piperazine;3-hydroxy-1H-pyridin-2-one;pentane
SMILESCCCCC.Clc1cccc(N2CCNCC2)c1Cl.O=c1[nH]cccc1O
InChIInChI=1S/C10H12Cl2N2.C5H5NO2.C5H12/c11-8-2-1-3-9(10(8)12)14-6-4-13-5-7-14;7-4-2-1-3-6-5(4)8;1-3-5-4-2/h1-3,13H,4-7H2;1-3,7H,(H,6,8);3-5H2,1-2H3
InChIKeyPDXOCEHJNGIJSR-UHFFFAOYSA-N
XLogP4.68
TPSA68.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.38
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-piperazin-1-ylphenol
CID 131297949
1-butyl-4-(2,3-dichlorophenyl)piperazine
CID 58358826
1-(2,3-dichlorophenyl)-4-hexylpiperazine
CID 155107965
1-(2-chlorophenyl)piperazine
CID 162116490
1-(2-chlorophenyl)piperazine;dihydrochloride
CID 3018683
3-chloro-2-piperazin-1-ylphenol
CID 84679423
1-methylsulfonylpiperidine;2-piperazin-1-ylphenol
CID 142156439
1-(2-bromo-3-chlorophenyl)piperazine
CID 83744852
(3R)-1-(2,3-dichlorophenyl)-3-methylpiperazine
CID 94544786
1-(2,3-dichlorophenyl)-3-methylpiperazine
CID 62670055
1-(2-butylphenyl)piperazine
CID 14479835
3-hydroxy-1H-pyridin-2-one;iridium
CID 175012048

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)piperazine;3-hydroxy-1H-pyridin-2-one;pentane?
The IUPAC name of 1-(2,3-dichlorophenyl)piperazine;3-hydroxy-1H-pyridin-2-one;pentane (CID 142979827) is 1-(2,3-dichlorophenyl)piperazine;3-hydroxy-1H-pyridin-2-one;pentane.
What is the SMILES notation for 1-(2,3-dichlorophenyl)piperazine;3-hydroxy-1H-pyridin-2-one;pentane?
The canonical SMILES for 1-(2,3-dichlorophenyl)piperazine;3-hydroxy-1H-pyridin-2-one;pentane is CCCCC.Clc1cccc(N2CCNCC2)c1Cl.O=c1[nH]cccc1O.
What is the InChIKey of 1-(2,3-dichlorophenyl)piperazine;3-hydroxy-1H-pyridin-2-one;pentane?
The InChIKey is PDXOCEHJNGIJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2.C5H5NO2.C5H12/c11-8-2-1-3-9(10(8)12)14-6-4-13-5-7-14;7-4-2-1-3-6-5(4)8;1-3-5-4-2/h1-3,13H,4-7H2;1-3,7H,(H,6,8);3-5H2,1-2H3.
What are the key properties of 1-(2,3-dichlorophenyl)piperazine;3-hydroxy-1H-pyridin-2-one;pentane?
1-(2,3-dichlorophenyl)piperazine;3-hydroxy-1H-pyridin-2-one;pentane has a molecular weight of 414.38 g/mol, XLogP of 4.68, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)piperazine;3-hydroxy-1H-pyridin-2-one;pentane is sourced from PubChem (CID 142979827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).