4-(3-chloro-2-pyridinyl)-1,2-dimethylpiperazine

C11H16ClN3 — CID 71195511

IUPAC4-(3-chloro-2-pyridinyl)-1,2-dimethylpiperazine
SMILESCC1CN(c2ncccc2Cl)CCN1C
InChIInChI=1S/C11H16ClN3/c1-9-8-15(7-6-14(9)2)11-10(12)4-3-5-13-11/h3-5,9H,6-8H2,1-2H3
InChIKeyPVIJBVWVDMNAKE-UHFFFAOYSA-N
MW225.72 g/mol
LogP1.88
Rot. Bonds1

About 4-(3-chloro-2-pyridinyl)-1,2-dimethylpiperazine

4-(3-chloro-2-pyridinyl)-1,2-dimethylpiperazine (PubChem CID 71195511) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is 4-(3-chloro-2-pyridinyl)-1,2-dimethylpiperazine.

Molecular Properties

Compound Name4-(3-chloro-2-pyridinyl)-1,2-dimethylpiperazine
PubChem CID71195511
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC Name4-(3-chloro-2-pyridinyl)-1,2-dimethylpiperazine
SMILESCC1CN(c2ncccc2Cl)CCN1C
InChIInChI=1S/C11H16ClN3/c1-9-8-15(7-6-14(9)2)11-10(12)4-3-5-13-11/h3-5,9H,6-8H2,1-2H3
InChIKeyPVIJBVWVDMNAKE-UHFFFAOYSA-N
XLogP1.88
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-pyridinyl)-1,2-dimethylpiperazine?
The IUPAC name of 4-(3-chloro-2-pyridinyl)-1,2-dimethylpiperazine (CID 71195511) is 4-(3-chloro-2-pyridinyl)-1,2-dimethylpiperazine.
What is the SMILES notation for 4-(3-chloro-2-pyridinyl)-1,2-dimethylpiperazine?
The canonical SMILES for 4-(3-chloro-2-pyridinyl)-1,2-dimethylpiperazine is CC1CN(c2ncccc2Cl)CCN1C.
What is the InChIKey of 4-(3-chloro-2-pyridinyl)-1,2-dimethylpiperazine?
The InChIKey is PVIJBVWVDMNAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3/c1-9-8-15(7-6-14(9)2)11-10(12)4-3-5-13-11/h3-5,9H,6-8H2,1-2H3.
What are the key properties of 4-(3-chloro-2-pyridinyl)-1,2-dimethylpiperazine?
4-(3-chloro-2-pyridinyl)-1,2-dimethylpiperazine has a molecular weight of 225.72 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-pyridinyl)-1,2-dimethylpiperazine is sourced from PubChem (CID 71195511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).