1-methyl-4-[(2-methyl-3-pyridinyl)methyl]piperazine

C12H19N3 — CID 71302088

IUPAC1-methyl-4-[(2-methyl-3-pyridinyl)methyl]piperazine
SMILESCc1ncccc1CN1CCN(C)CC1
InChIInChI=1S/C12H19N3/c1-11-12(4-3-5-13-11)10-15-8-6-14(2)7-9-15/h3-5H,6-10H2,1-2H3
InChIKeyXCCWXMNKEUZRSB-UHFFFAOYSA-N
MW205.31 g/mol
LogP1.14
Rot. Bonds2

About 1-methyl-4-[(2-methyl-3-pyridinyl)methyl]piperazine

1-methyl-4-[(2-methyl-3-pyridinyl)methyl]piperazine (PubChem CID 71302088) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 1-methyl-4-[(2-methyl-3-pyridinyl)methyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[(2-methyl-3-pyridinyl)methyl]piperazine
PubChem CID71302088
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name1-methyl-4-[(2-methyl-3-pyridinyl)methyl]piperazine
SMILESCc1ncccc1CN1CCN(C)CC1
InChIInChI=1S/C12H19N3/c1-11-12(4-3-5-13-11)10-15-8-6-14(2)7-9-15/h3-5H,6-10H2,1-2H3
InChIKeyXCCWXMNKEUZRSB-UHFFFAOYSA-N
XLogP1.14
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(pyrrolidin-1-ylmethyl)pyridine
CID 130158747
1-[(2-bromophenyl)methyl]-4-[(2-methyl-3-pyridinyl)methyl]piperazine
CID 166601534
5-chloro-2-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]pyrimidine
CID 166600720
4-methoxy-6-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]pyrimidine
CID 171130683
5-fluoro-4-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]-6-propan-2-ylpyrimidine
CID 166601004
3-[(4-methyl-1,4-diazepan-1-yl)methyl]-N-propylpyridin-2-amine
CID 62470227
2-[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]aniline
CID 12973962
N-[(2-methyl-3-pyridinyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 112689529
1-methyl-4-[[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]piperazine
CID 56713052
2-[(4-methylpiperazin-1-yl)methyl]-4-pyrimidin-2-ylphenol
CID 135882148
methanol;5-[(4-methyl-1,4-diazepan-1-yl)methyl]quinolin-8-ol
CID 142849611
5-chloro-7-[(4-methylpiperazin-1-yl)methyl]quinolin-8-ol;dihydrochloride
CID 131888000

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(2-methyl-3-pyridinyl)methyl]piperazine?
The IUPAC name of 1-methyl-4-[(2-methyl-3-pyridinyl)methyl]piperazine (CID 71302088) is 1-methyl-4-[(2-methyl-3-pyridinyl)methyl]piperazine.
What is the SMILES notation for 1-methyl-4-[(2-methyl-3-pyridinyl)methyl]piperazine?
The canonical SMILES for 1-methyl-4-[(2-methyl-3-pyridinyl)methyl]piperazine is Cc1ncccc1CN1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-[(2-methyl-3-pyridinyl)methyl]piperazine?
The InChIKey is XCCWXMNKEUZRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-11-12(4-3-5-13-11)10-15-8-6-14(2)7-9-15/h3-5H,6-10H2,1-2H3.
What are the key properties of 1-methyl-4-[(2-methyl-3-pyridinyl)methyl]piperazine?
1-methyl-4-[(2-methyl-3-pyridinyl)methyl]piperazine has a molecular weight of 205.31 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(2-methyl-3-pyridinyl)methyl]piperazine is sourced from PubChem (CID 71302088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).