3-methyl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride

C11H18ClN3 — CID 71639374

IUPAC3-methyl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride
SMILESCC1CN(Cc2ccccn2)CCN1.Cl
InChIInChI=1S/C11H17N3.ClH/c1-10-8-14(7-6-12-10)9-11-4-2-3-5-13-11;/h2-5,10,12H,6-9H2,1H3;1H
InChIKeyBAQBAGBCAIMZID-UHFFFAOYSA-N
MW227.74 g/mol
LogP1.30
Rot. Bonds2

About 3-methyl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride

3-methyl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride (PubChem CID 71639374) has the molecular formula C11H18ClN3 and a molecular weight of 227.74 g/mol. Its IUPAC name is 3-methyl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride.

Molecular Properties

Compound Name3-methyl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride
PubChem CID71639374
Molecular FormulaC11H18ClN3
Molecular Weight227.74 g/mol
Exact Mass227.12
IUPAC Name3-methyl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride
SMILESCC1CN(Cc2ccccn2)CCN1.Cl
InChIInChI=1S/C11H17N3.ClH/c1-10-8-14(7-6-12-10)9-11-4-2-3-5-13-11;/h2-5,10,12H,6-9H2,1H3;1H
InChIKeyBAQBAGBCAIMZID-UHFFFAOYSA-N
XLogP1.30
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-benzyl-3-methylpiperazine;hydrochloride
CID 52982949
(3R)-3-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine
CID 104975601
2-[[(3R)-3-methylpiperazin-1-yl]methyl]quinoline
CID 113345872
(3S)-1-[(6-chloro-2-pyridinyl)methyl]-3-methylpiperazine
CID 104976962
methanamine;1-(pyridin-2-ylmethyl)piperazine
CID 142253020
ethane;1-(pyridin-2-ylmethyl)-1,4,7,10-tetrazacyclododecane
CID 171786933
4-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,3-oxazole;hydrochloride
CID 131160294
piperazine;1-(pyridin-2-ylmethyl)piperazine
CID 174820345
2-chloro-4-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrimidine
CID 97163267
3-methyl-1-(pyridin-2-ylmethylsulfonyl)piperazine;hydrochloride
CID 71639477
1-benzyl-3-methylpiperazine;ethane
CID 166543639
(3R)-1-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazine
CID 104975727

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride?
The IUPAC name of 3-methyl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride (CID 71639374) is 3-methyl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride.
What is the SMILES notation for 3-methyl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride?
The canonical SMILES for 3-methyl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride is CC1CN(Cc2ccccn2)CCN1.Cl.
What is the InChIKey of 3-methyl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride?
The InChIKey is BAQBAGBCAIMZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3.ClH/c1-10-8-14(7-6-12-10)9-11-4-2-3-5-13-11;/h2-5,10,12H,6-9H2,1H3;1H.
What are the key properties of 3-methyl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride?
3-methyl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride has a molecular weight of 227.74 g/mol, XLogP of 1.30, 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-2-ylmethyl)piperazine;hydrochloride is sourced from PubChem (CID 71639374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).