3-methyl-1-[(3-methyl-4-pyridinyl)methyl]piperazine

C12H19N3 — CID 114702066

IUPAC3-methyl-1-[(3-methyl-4-pyridinyl)methyl]piperazine
SMILESCc1cnccc1CN1CCNC(C)C1
InChIInChI=1S/C12H19N3/c1-10-7-13-4-3-12(10)9-15-6-5-14-11(2)8-15/h3-4,7,11,14H,5-6,8-9H2,1-2H3
InChIKeyGAKWXXMFVDOGPS-UHFFFAOYSA-N
MW205.31 g/mol
LogP1.18
Rot. Bonds2

About 3-methyl-1-[(3-methyl-4-pyridinyl)methyl]piperazine

3-methyl-1-[(3-methyl-4-pyridinyl)methyl]piperazine (PubChem CID 114702066) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 3-methyl-1-[(3-methyl-4-pyridinyl)methyl]piperazine.

Molecular Properties

Compound Name3-methyl-1-[(3-methyl-4-pyridinyl)methyl]piperazine
PubChem CID114702066
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name3-methyl-1-[(3-methyl-4-pyridinyl)methyl]piperazine
SMILESCc1cnccc1CN1CCNC(C)C1
InChIInChI=1S/C12H19N3/c1-10-7-13-4-3-12(10)9-15-6-5-14-11(2)8-15/h3-4,7,11,14H,5-6,8-9H2,1-2H3
InChIKeyGAKWXXMFVDOGPS-UHFFFAOYSA-N
XLogP1.18
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(3S)-3-methylpiperazin-1-yl]methyl]isoquinoline
CID 24954893
3-ethyl-1-[(3-methyl-4-pyridinyl)methyl]-1,4-diazepane
CID 114702006
2,5-dimethyl-1-[(3-methyl-4-pyridinyl)methyl]piperazine
CID 114702065
3-methyl-1-(pyridin-3-ylmethyl)piperazine
CID 64832187
(3R)-1-[(2,3-dimethylphenyl)methyl]-3-methylpiperazine
CID 96906172
(3R)-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine
CID 130644711
1-[(2-fluoro-3-methylphenyl)methyl]-3-methylpiperazine
CID 83811096
2-methyl-6-[(3-methylpiperazin-1-yl)methyl]phenol
CID 115903802
(3S)-1-[(5-fluoro-2-methylphenyl)methyl]-3-methylpiperazine
CID 103947576
2-[(3-methyl-4-pyridinyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 114702040
1-[(3-methyl-4-pyridinyl)methyl]azetidine-3-carboxylic acid
CID 130877844
3-methyl-1-[(2-methyl-4-nitrophenyl)methyl]piperazine
CID 166643113

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(3-methyl-4-pyridinyl)methyl]piperazine?
The IUPAC name of 3-methyl-1-[(3-methyl-4-pyridinyl)methyl]piperazine (CID 114702066) is 3-methyl-1-[(3-methyl-4-pyridinyl)methyl]piperazine.
What is the SMILES notation for 3-methyl-1-[(3-methyl-4-pyridinyl)methyl]piperazine?
The canonical SMILES for 3-methyl-1-[(3-methyl-4-pyridinyl)methyl]piperazine is Cc1cnccc1CN1CCNC(C)C1.
What is the InChIKey of 3-methyl-1-[(3-methyl-4-pyridinyl)methyl]piperazine?
The InChIKey is GAKWXXMFVDOGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-10-7-13-4-3-12(10)9-15-6-5-14-11(2)8-15/h3-4,7,11,14H,5-6,8-9H2,1-2H3.
What are the key properties of 3-methyl-1-[(3-methyl-4-pyridinyl)methyl]piperazine?
3-methyl-1-[(3-methyl-4-pyridinyl)methyl]piperazine has a molecular weight of 205.31 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(3-methyl-4-pyridinyl)methyl]piperazine is sourced from PubChem (CID 114702066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).