[4-(3-methoxyphenyl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride

C17H21Cl2N3O2 — CID 3079112

IUPAC[4-(3-methoxyphenyl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride
SMILESCOc1cccc(N2CCN(C(=O)c3cccnc3)CC2)c1.Cl.Cl
InChIInChI=1S/C17H19N3O2.2ClH/c1-22-16-6-2-5-15(12-16)19-8-10-20(11-9-19)17(21)14-4-3-7-18-13-14;;/h2-7,12-13H,8-11H2,1H3;2*1H
InChIKeyQLLLNZMFUOWNNX-UHFFFAOYSA-N
MW370.28 g/mol
LogP2.90
Rot. Bonds3

About [4-(3-methoxyphenyl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride

[4-(3-methoxyphenyl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride (PubChem CID 3079112) has the molecular formula C17H21Cl2N3O2 and a molecular weight of 370.28 g/mol. Its IUPAC name is [4-(3-methoxyphenyl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride.

Molecular Properties

Compound Name[4-(3-methoxyphenyl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride
PubChem CID3079112
Molecular FormulaC17H21Cl2N3O2
Molecular Weight370.28 g/mol
Exact Mass369.10
IUPAC Name[4-(3-methoxyphenyl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride
SMILESCOc1cccc(N2CCN(C(=O)c3cccnc3)CC2)c1.Cl.Cl
InChIInChI=1S/C17H19N3O2.2ClH/c1-22-16-6-2-5-15(12-16)19-8-10-20(11-9-19)17(21)14-4-3-7-18-13-14;;/h2-7,12-13H,8-11H2,1H3;2*1H
InChIKeyQLLLNZMFUOWNNX-UHFFFAOYSA-N
XLogP2.90
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(3-methoxyphenyl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride?
The IUPAC name of [4-(3-methoxyphenyl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride (CID 3079112) is [4-(3-methoxyphenyl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride.
What is the SMILES notation for [4-(3-methoxyphenyl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride?
The canonical SMILES for [4-(3-methoxyphenyl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride is COc1cccc(N2CCN(C(=O)c3cccnc3)CC2)c1.Cl.Cl.
What is the InChIKey of [4-(3-methoxyphenyl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride?
The InChIKey is QLLLNZMFUOWNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2.2ClH/c1-22-16-6-2-5-15(12-16)19-8-10-20(11-9-19)17(21)14-4-3-7-18-13-14;;/h2-7,12-13H,8-11H2,1H3;2*1H.
What are the key properties of [4-(3-methoxyphenyl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride?
[4-(3-methoxyphenyl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride has a molecular weight of 370.28 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methoxyphenyl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride is sourced from PubChem (CID 3079112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).