4-(5-chloro-2-pyridinyl)-1,2,2-trimethylpiperazine

C12H18ClN3 — CID 66233004

IUPAC4-(5-chloro-2-pyridinyl)-1,2,2-trimethylpiperazine
SMILESCN1CCN(c2ccc(Cl)cn2)CC1(C)C
InChIInChI=1S/C12H18ClN3/c1-12(2)9-16(7-6-15(12)3)11-5-4-10(13)8-14-11/h4-5,8H,6-7,9H2,1-3H3
InChIKeyKEVOQFURGQOMBK-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.27
Rot. Bonds1

About 4-(5-chloro-2-pyridinyl)-1,2,2-trimethylpiperazine

4-(5-chloro-2-pyridinyl)-1,2,2-trimethylpiperazine (PubChem CID 66233004) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is 4-(5-chloro-2-pyridinyl)-1,2,2-trimethylpiperazine.

Molecular Properties

Compound Name4-(5-chloro-2-pyridinyl)-1,2,2-trimethylpiperazine
PubChem CID66233004
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC Name4-(5-chloro-2-pyridinyl)-1,2,2-trimethylpiperazine
SMILESCN1CCN(c2ccc(Cl)cn2)CC1(C)C
InChIInChI=1S/C12H18ClN3/c1-12(2)9-16(7-6-15(12)3)11-5-4-10(13)8-14-11/h4-5,8H,6-7,9H2,1-3H3
InChIKeyKEVOQFURGQOMBK-UHFFFAOYSA-N
XLogP2.27
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-pyridinyl)-1,2,2-trimethylpiperazine?
The IUPAC name of 4-(5-chloro-2-pyridinyl)-1,2,2-trimethylpiperazine (CID 66233004) is 4-(5-chloro-2-pyridinyl)-1,2,2-trimethylpiperazine.
What is the SMILES notation for 4-(5-chloro-2-pyridinyl)-1,2,2-trimethylpiperazine?
The canonical SMILES for 4-(5-chloro-2-pyridinyl)-1,2,2-trimethylpiperazine is CN1CCN(c2ccc(Cl)cn2)CC1(C)C.
What is the InChIKey of 4-(5-chloro-2-pyridinyl)-1,2,2-trimethylpiperazine?
The InChIKey is KEVOQFURGQOMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3/c1-12(2)9-16(7-6-15(12)3)11-5-4-10(13)8-14-11/h4-5,8H,6-7,9H2,1-3H3.
What are the key properties of 4-(5-chloro-2-pyridinyl)-1,2,2-trimethylpiperazine?
4-(5-chloro-2-pyridinyl)-1,2,2-trimethylpiperazine has a molecular weight of 239.75 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-pyridinyl)-1,2,2-trimethylpiperazine is sourced from PubChem (CID 66233004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).