2,5-dimethyl-1-pyridin-4-ylpiperazine

C11H17N3 — CID 64983891

IUPAC2,5-dimethyl-1-pyridin-4-ylpiperazine
SMILESCC1CN(c2ccncc2)C(C)CN1
InChIInChI=1S/C11H17N3/c1-9-8-14(10(2)7-13-9)11-3-5-12-6-4-11/h3-6,9-10,13H,7-8H2,1-2H3
InChIKeyVRWSQHAAKQKDAD-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.27
Rot. Bonds1

About 2,5-dimethyl-1-pyridin-4-ylpiperazine

2,5-dimethyl-1-pyridin-4-ylpiperazine (PubChem CID 64983891) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 2,5-dimethyl-1-pyridin-4-ylpiperazine.

Molecular Properties

Compound Name2,5-dimethyl-1-pyridin-4-ylpiperazine
PubChem CID64983891
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name2,5-dimethyl-1-pyridin-4-ylpiperazine
SMILESCC1CN(c2ccncc2)C(C)CN1
InChIInChI=1S/C11H17N3/c1-9-8-14(10(2)7-13-9)11-3-5-12-6-4-11/h3-6,9-10,13H,7-8H2,1-2H3
InChIKeyVRWSQHAAKQKDAD-UHFFFAOYSA-N
XLogP1.27
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-2,5-dimethylpiperazine
CID 11572115
(2S,5R)-1-(4-bromophenyl)-2,5-dimethylpiperazine
CID 95472777
2,5-dimethyl-1-[4-(trifluoromethyl)phenyl]piperazine
CID 11565121
(2S)-2,5-dimethyl-1-[4-(trifluoromethyl)phenyl]piperazine
CID 70804072
(2S,5R)-1-(4-methoxyphenyl)-2,5-dimethylpiperazine
CID 95443898
2,5-dimethyl-1-(4-methyl-3-pyridinyl)piperazine
CID 64936270
1-(3,4-dichlorophenyl)-2,5-dimethylpiperazine
CID 11565136
1-(4-ethoxyphenyl)-2,5-dimethylpiperazine
CID 64951879
(2S)-2-methyl-1-pyridin-4-ylpiperazine
CID 94546152
5-(2,5-dimethylpiperazin-1-yl)isoquinoline
CID 64936926
(2S,5R)-1-(3-methoxyphenyl)-2,5-dimethylpiperazine
CID 95443891
1-chloro-4-[(2R,5S)-2,5-dimethylpiperazin-1-yl]pyrido[3,4-d]pyridazine
CID 87559587

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-pyridin-4-ylpiperazine?
The IUPAC name of 2,5-dimethyl-1-pyridin-4-ylpiperazine (CID 64983891) is 2,5-dimethyl-1-pyridin-4-ylpiperazine.
What is the SMILES notation for 2,5-dimethyl-1-pyridin-4-ylpiperazine?
The canonical SMILES for 2,5-dimethyl-1-pyridin-4-ylpiperazine is CC1CN(c2ccncc2)C(C)CN1.
What is the InChIKey of 2,5-dimethyl-1-pyridin-4-ylpiperazine?
The InChIKey is VRWSQHAAKQKDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-9-8-14(10(2)7-13-9)11-3-5-12-6-4-11/h3-6,9-10,13H,7-8H2,1-2H3.
What are the key properties of 2,5-dimethyl-1-pyridin-4-ylpiperazine?
2,5-dimethyl-1-pyridin-4-ylpiperazine has a molecular weight of 191.28 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-pyridin-4-ylpiperazine is sourced from PubChem (CID 64983891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).