1,4-bis(3-chloro-2-pyridinyl)piperazine;hydrochloride

C14H15Cl3N4 — CID 44523131

IUPAC1,4-bis(3-chloro-2-pyridinyl)piperazine;hydrochloride
SMILESCl.Clc1cccnc1N1CCN(c2ncccc2Cl)CC1
InChIInChI=1S/C14H14Cl2N4.ClH/c15-11-3-1-5-17-13(11)19-7-9-20(10-8-19)14-12(16)4-2-6-18-14;/h1-6H,7-10H2;1H
InChIKeyPXOVUOWWCSTRHD-UHFFFAOYSA-N
MW345.66 g/mol
LogP3.53
Rot. Bonds2

About 1,4-bis(3-chloro-2-pyridinyl)piperazine;hydrochloride

1,4-bis(3-chloro-2-pyridinyl)piperazine;hydrochloride (PubChem CID 44523131) has the molecular formula C14H15Cl3N4 and a molecular weight of 345.66 g/mol. Its IUPAC name is 1,4-bis(3-chloro-2-pyridinyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1,4-bis(3-chloro-2-pyridinyl)piperazine;hydrochloride
PubChem CID44523131
Molecular FormulaC14H15Cl3N4
Molecular Weight345.66 g/mol
Exact Mass344.04
IUPAC Name1,4-bis(3-chloro-2-pyridinyl)piperazine;hydrochloride
SMILESCl.Clc1cccnc1N1CCN(c2ncccc2Cl)CC1
InChIInChI=1S/C14H14Cl2N4.ClH/c15-11-3-1-5-17-13(11)19-7-9-20(10-8-19)14-12(16)4-2-6-18-14;/h1-6H,7-10H2;1H
InChIKeyPXOVUOWWCSTRHD-UHFFFAOYSA-N
XLogP3.53
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.66
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(3-chloro-2-pyridinyl)piperazine;hydrochloride?
The IUPAC name of 1,4-bis(3-chloro-2-pyridinyl)piperazine;hydrochloride (CID 44523131) is 1,4-bis(3-chloro-2-pyridinyl)piperazine;hydrochloride.
What is the SMILES notation for 1,4-bis(3-chloro-2-pyridinyl)piperazine;hydrochloride?
The canonical SMILES for 1,4-bis(3-chloro-2-pyridinyl)piperazine;hydrochloride is Cl.Clc1cccnc1N1CCN(c2ncccc2Cl)CC1.
What is the InChIKey of 1,4-bis(3-chloro-2-pyridinyl)piperazine;hydrochloride?
The InChIKey is PXOVUOWWCSTRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N4.ClH/c15-11-3-1-5-17-13(11)19-7-9-20(10-8-19)14-12(16)4-2-6-18-14;/h1-6H,7-10H2;1H.
What are the key properties of 1,4-bis(3-chloro-2-pyridinyl)piperazine;hydrochloride?
1,4-bis(3-chloro-2-pyridinyl)piperazine;hydrochloride has a molecular weight of 345.66 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(3-chloro-2-pyridinyl)piperazine;hydrochloride is sourced from PubChem (CID 44523131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).