1-[(4-chloro-2-pyridinyl)methyl]-2-methylpiperazine

C11H16ClN3 — CID 79255463

IUPAC1-[(4-chloro-2-pyridinyl)methyl]-2-methylpiperazine
SMILESCC1CNCCN1Cc1cc(Cl)ccn1
InChIInChI=1S/C11H16ClN3/c1-9-7-13-4-5-15(9)8-11-6-10(12)2-3-14-11/h2-3,6,9,13H,4-5,7-8H2,1H3
InChIKeyOLTJQZBYYNXIQJ-UHFFFAOYSA-N
MW225.72 g/mol
LogP1.53
Rot. Bonds2

About 1-[(4-chloro-2-pyridinyl)methyl]-2-methylpiperazine

1-[(4-chloro-2-pyridinyl)methyl]-2-methylpiperazine (PubChem CID 79255463) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is 1-[(4-chloro-2-pyridinyl)methyl]-2-methylpiperazine.

Molecular Properties

Compound Name1-[(4-chloro-2-pyridinyl)methyl]-2-methylpiperazine
PubChem CID79255463
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC Name1-[(4-chloro-2-pyridinyl)methyl]-2-methylpiperazine
SMILESCC1CNCCN1Cc1cc(Cl)ccn1
InChIInChI=1S/C11H16ClN3/c1-9-7-13-4-5-15(9)8-11-6-10(12)2-3-14-11/h2-3,6,9,13H,4-5,7-8H2,1H3
InChIKeyOLTJQZBYYNXIQJ-UHFFFAOYSA-N
XLogP1.53
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[(2-chloro-4-pyridinyl)methyl]-2-methylpiperazine
CID 82705581
(2R)-2-methyl-1-(pyridin-2-ylmethyl)piperazine
CID 67972243
4-[(4-chloro-2-pyridinyl)methyl]-3-methylthiomorpholine
CID 79254901
1-[(2-bromo-4-pyridinyl)methyl]-2-methylpiperazine;hydrochloride
CID 71639563
(2S)-2-methyl-1-(pyridin-4-ylmethyl)piperazine
CID 82756317
(2S)-1-(4-chloro-2-pyridinyl)-2-methylpiperazine
CID 96905168
4-chloro-2-[(2,3-dimethylpyrrolidin-1-yl)methyl]pyridine
CID 130834648
3-[[(2R)-2-methylpiperazin-1-yl]methyl]pyridazine;hydrochloride
CID 171779742
3-[(2-methylpiperazin-1-yl)methyl]pyridazine;hydrochloride
CID 171779875
(2R)-2-methyl-1-[(2-methyltriazol-4-yl)methyl]piperazine
CID 130591920
2-chloro-5-[[(2R)-2-methylpiperazin-1-yl]methyl]-1,3-thiazole
CID 82713356
1-[(4-iodophenyl)methyl]-2-methylpiperazine;hydrochloride
CID 119916408

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-2-pyridinyl)methyl]-2-methylpiperazine?
The IUPAC name of 1-[(4-chloro-2-pyridinyl)methyl]-2-methylpiperazine (CID 79255463) is 1-[(4-chloro-2-pyridinyl)methyl]-2-methylpiperazine.
What is the SMILES notation for 1-[(4-chloro-2-pyridinyl)methyl]-2-methylpiperazine?
The canonical SMILES for 1-[(4-chloro-2-pyridinyl)methyl]-2-methylpiperazine is CC1CNCCN1Cc1cc(Cl)ccn1.
What is the InChIKey of 1-[(4-chloro-2-pyridinyl)methyl]-2-methylpiperazine?
The InChIKey is OLTJQZBYYNXIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3/c1-9-7-13-4-5-15(9)8-11-6-10(12)2-3-14-11/h2-3,6,9,13H,4-5,7-8H2,1H3.
What are the key properties of 1-[(4-chloro-2-pyridinyl)methyl]-2-methylpiperazine?
1-[(4-chloro-2-pyridinyl)methyl]-2-methylpiperazine has a molecular weight of 225.72 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-2-pyridinyl)methyl]-2-methylpiperazine is sourced from PubChem (CID 79255463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).