(3-chlorophenyl) 4-(3-chloro-2-pyridinyl)piperazine-1-carboxylate

C16H15Cl2N3O2 — CID 46879879

IUPAC(3-chlorophenyl) 4-(3-chloro-2-pyridinyl)piperazine-1-carboxylate
SMILESO=C(Oc1cccc(Cl)c1)N1CCN(c2ncccc2Cl)CC1
InChIInChI=1S/C16H15Cl2N3O2/c17-12-3-1-4-13(11-12)23-16(22)21-9-7-20(8-10-21)15-14(18)5-2-6-19-15/h1-6,11H,7-10H2
InChIKeyVGCOQJLQONFPQX-UHFFFAOYSA-N
MW352.22 g/mol
LogP3.71
Rot. Bonds2

About (3-chlorophenyl) 4-(3-chloro-2-pyridinyl)piperazine-1-carboxylate

(3-chlorophenyl) 4-(3-chloro-2-pyridinyl)piperazine-1-carboxylate (PubChem CID 46879879) has the molecular formula C16H15Cl2N3O2 and a molecular weight of 352.22 g/mol. Its IUPAC name is (3-chlorophenyl) 4-(3-chloro-2-pyridinyl)piperazine-1-carboxylate.

Molecular Properties

Compound Name(3-chlorophenyl) 4-(3-chloro-2-pyridinyl)piperazine-1-carboxylate
PubChem CID46879879
Molecular FormulaC16H15Cl2N3O2
Molecular Weight352.22 g/mol
Exact Mass351.05
IUPAC Name(3-chlorophenyl) 4-(3-chloro-2-pyridinyl)piperazine-1-carboxylate
SMILESO=C(Oc1cccc(Cl)c1)N1CCN(c2ncccc2Cl)CC1
InChIInChI=1S/C16H15Cl2N3O2/c17-12-3-1-4-13(11-12)23-16(22)21-9-7-20(8-10-21)15-14(18)5-2-6-19-15/h1-6,11H,7-10H2
InChIKeyVGCOQJLQONFPQX-UHFFFAOYSA-N
XLogP3.71
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.22
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-Chlorophenoxy)-1-(4-(2-pyridyl)piperazinyl)ethan-1-one
CID 753208
4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic acid (4-trifluoromethoxy-phenyl)-amide
CID 21037648
Oxazolo(4,5-b)pyridin-2(3H)-one, 3-((4-(2-chlorophenyl)-1-piperazinyl)methyl)-
CID 3073123
Oxazolo(4,5-b)pyridin-2(3H)-one, 3-(2-(4-(4-chlorophenyl)-1-piperazinyl)ethyl)-
CID 3077458
1-[4-(2,4-Dichlorophenoxy)butanoyl]-4-(2-pyridinyl)piperazine
CID 2961286
4-(Trifluoromethyl)phenyl 4-(3-(trifluoromethyl)pyridin-2-yl)piperazine-1-carboxylate
CID 45375957
4-Tert-butylphenyl 4-(3-chloropyridin-2-yl)piperazine-1-carboxylate
CID 46879825
4-Chlorophenyl 4-(3-chloropyridin-2-yl)piperazine-1-carboxylate
CID 46879878
Biphenyl-3-yl 4-(3-chloropyridin-2-yl)piperazine-1-carboxylate
CID 46879880
3-Chlorophenyl 4-(3-(trifluoromethyl)pyridin-2-yl)piperazine-1-carboxylate
CID 46879964
2-(4-Chlorophenoxy)-2-methyl-1-(4-(2-pyridyl)piperazinyl)propan-1-one
CID 1226363
N-(5-chloro-2-methoxyphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide
CID 72194832

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl) 4-(3-chloro-2-pyridinyl)piperazine-1-carboxylate?
The IUPAC name of (3-chlorophenyl) 4-(3-chloro-2-pyridinyl)piperazine-1-carboxylate (CID 46879879) is (3-chlorophenyl) 4-(3-chloro-2-pyridinyl)piperazine-1-carboxylate.
What is the SMILES notation for (3-chlorophenyl) 4-(3-chloro-2-pyridinyl)piperazine-1-carboxylate?
The canonical SMILES for (3-chlorophenyl) 4-(3-chloro-2-pyridinyl)piperazine-1-carboxylate is O=C(Oc1cccc(Cl)c1)N1CCN(c2ncccc2Cl)CC1.
What is the InChIKey of (3-chlorophenyl) 4-(3-chloro-2-pyridinyl)piperazine-1-carboxylate?
The InChIKey is VGCOQJLQONFPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O2/c17-12-3-1-4-13(11-12)23-16(22)21-9-7-20(8-10-21)15-14(18)5-2-6-19-15/h1-6,11H,7-10H2.
What are the key properties of (3-chlorophenyl) 4-(3-chloro-2-pyridinyl)piperazine-1-carboxylate?
(3-chlorophenyl) 4-(3-chloro-2-pyridinyl)piperazine-1-carboxylate has a molecular weight of 352.22 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl) 4-(3-chloro-2-pyridinyl)piperazine-1-carboxylate is sourced from PubChem (CID 46879879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).