2-(4-pyridin-4-ylpiperazin-1-yl)acetic acid;dihydrochloride

C11H17Cl2N3O2 — CID 18918527

IUPAC2-(4-pyridin-4-ylpiperazin-1-yl)acetic acid;dihydrochloride
SMILESCl.Cl.O=C(O)CN1CCN(c2ccncc2)CC1
InChIInChI=1S/C11H15N3O2.2ClH/c15-11(16)9-13-5-7-14(8-6-13)10-1-3-12-4-2-10;;/h1-4H,5-9H2,(H,15,16);2*1H
InChIKeyKJTLTTZEEVOXRU-UHFFFAOYSA-N
MW294.18 g/mol
LogP1.13
Rot. Bonds3

About 2-(4-pyridin-4-ylpiperazin-1-yl)acetic acid;dihydrochloride

2-(4-pyridin-4-ylpiperazin-1-yl)acetic acid;dihydrochloride (PubChem CID 18918527) has the molecular formula C11H17Cl2N3O2 and a molecular weight of 294.18 g/mol. Its IUPAC name is 2-(4-pyridin-4-ylpiperazin-1-yl)acetic acid;dihydrochloride.

Molecular Properties

Compound Name2-(4-pyridin-4-ylpiperazin-1-yl)acetic acid;dihydrochloride
PubChem CID18918527
Molecular FormulaC11H17Cl2N3O2
Molecular Weight294.18 g/mol
Exact Mass293.07
IUPAC Name2-(4-pyridin-4-ylpiperazin-1-yl)acetic acid;dihydrochloride
SMILESCl.Cl.O=C(O)CN1CCN(c2ccncc2)CC1
InChIInChI=1S/C11H15N3O2.2ClH/c15-11(16)9-13-5-7-14(8-6-13)10-1-3-12-4-2-10;;/h1-4H,5-9H2,(H,15,16);2*1H
InChIKeyKJTLTTZEEVOXRU-UHFFFAOYSA-N
XLogP1.13
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.18
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-pyridin-4-ylpiperazin-1-yl)acetic acid;dihydrochloride?
The IUPAC name of 2-(4-pyridin-4-ylpiperazin-1-yl)acetic acid;dihydrochloride (CID 18918527) is 2-(4-pyridin-4-ylpiperazin-1-yl)acetic acid;dihydrochloride.
What is the SMILES notation for 2-(4-pyridin-4-ylpiperazin-1-yl)acetic acid;dihydrochloride?
The canonical SMILES for 2-(4-pyridin-4-ylpiperazin-1-yl)acetic acid;dihydrochloride is Cl.Cl.O=C(O)CN1CCN(c2ccncc2)CC1.
What is the InChIKey of 2-(4-pyridin-4-ylpiperazin-1-yl)acetic acid;dihydrochloride?
The InChIKey is KJTLTTZEEVOXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2.2ClH/c15-11(16)9-13-5-7-14(8-6-13)10-1-3-12-4-2-10;;/h1-4H,5-9H2,(H,15,16);2*1H.
What are the key properties of 2-(4-pyridin-4-ylpiperazin-1-yl)acetic acid;dihydrochloride?
2-(4-pyridin-4-ylpiperazin-1-yl)acetic acid;dihydrochloride has a molecular weight of 294.18 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyridin-4-ylpiperazin-1-yl)acetic acid;dihydrochloride is sourced from PubChem (CID 18918527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).