3-methyl-1-(pyridin-3-ylmethyl)piperazine

C11H17N3 — CID 64832187

IUPAC3-methyl-1-(pyridin-3-ylmethyl)piperazine
SMILESCC1CN(Cc2cccnc2)CCN1
InChIInChI=1S/C11H17N3/c1-10-8-14(6-5-13-10)9-11-3-2-4-12-7-11/h2-4,7,10,13H,5-6,8-9H2,1H3
InChIKeyAOODYKYCBCADEQ-UHFFFAOYSA-N
MW191.28 g/mol
LogP0.88
Rot. Bonds2

About 3-methyl-1-(pyridin-3-ylmethyl)piperazine

3-methyl-1-(pyridin-3-ylmethyl)piperazine (PubChem CID 64832187) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 3-methyl-1-(pyridin-3-ylmethyl)piperazine.

Molecular Properties

Compound Name3-methyl-1-(pyridin-3-ylmethyl)piperazine
PubChem CID64832187
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name3-methyl-1-(pyridin-3-ylmethyl)piperazine
SMILESCC1CN(Cc2cccnc2)CCN1
InChIInChI=1S/C11H17N3/c1-10-8-14(6-5-13-10)9-11-3-2-4-12-7-11/h2-4,7,10,13H,5-6,8-9H2,1H3
InChIKeyAOODYKYCBCADEQ-UHFFFAOYSA-N
XLogP0.88
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-benzyl-3-methylpiperazine;hydrochloride
CID 52982949
1-benzyl-3-methylpiperazine;ethane
CID 166543639
4-(pyridin-3-ylmethyl)piperazine-2-carboxylic acid
CID 71649668
3,7-dimethyl-1-(pyridin-3-ylmethyl)-1,4-diazepane
CID 64870565
3-propan-2-yl-1-(pyridin-3-ylmethyl)-1,4-diazepane
CID 64858405
3-methyl-1-[(3-methyl-4-pyridinyl)methyl]piperazine
CID 114702066
3-methyl-1-[(3-methylphenyl)methyl]piperazine
CID 64834386
3,7-dimethyl-1-(pyridin-3-ylmethyl)-1,5-diazocane
CID 54977770
1-ethyl-2-methyl-4-(pyridin-3-ylmethyl)piperazine
CID 150931235
5-[[(3S)-3-methylpiperazin-1-yl]methyl]isoquinoline
CID 24954893
6-[[(3S)-3-methylpiperazin-1-yl]methyl]quinoline
CID 103885682
3-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]pyridine
CID 91916522

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(pyridin-3-ylmethyl)piperazine?
The IUPAC name of 3-methyl-1-(pyridin-3-ylmethyl)piperazine (CID 64832187) is 3-methyl-1-(pyridin-3-ylmethyl)piperazine.
What is the SMILES notation for 3-methyl-1-(pyridin-3-ylmethyl)piperazine?
The canonical SMILES for 3-methyl-1-(pyridin-3-ylmethyl)piperazine is CC1CN(Cc2cccnc2)CCN1.
What is the InChIKey of 3-methyl-1-(pyridin-3-ylmethyl)piperazine?
The InChIKey is AOODYKYCBCADEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-10-8-14(6-5-13-10)9-11-3-2-4-12-7-11/h2-4,7,10,13H,5-6,8-9H2,1H3.
What are the key properties of 3-methyl-1-(pyridin-3-ylmethyl)piperazine?
3-methyl-1-(pyridin-3-ylmethyl)piperazine has a molecular weight of 191.28 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(pyridin-3-ylmethyl)piperazine is sourced from PubChem (CID 64832187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).