1-[5-(chloromethyl)-2-pyridinyl]-4-methylpiperazine;hydrochloride

C11H17Cl2N3 — CID 133058572

IUPAC1-[5-(chloromethyl)-2-pyridinyl]-4-methylpiperazine;hydrochloride
SMILESCN1CCN(c2ccc(CCl)cn2)CC1.Cl
InChIInChI=1S/C11H16ClN3.ClH/c1-14-4-6-15(7-5-14)11-3-2-10(8-12)9-13-11;/h2-3,9H,4-8H2,1H3;1H
InChIKeyPWPLNKIBQZUJEU-UHFFFAOYSA-N
MW262.18 g/mol
LogP1.99
Rot. Bonds2

About 1-[5-(chloromethyl)-2-pyridinyl]-4-methylpiperazine;hydrochloride

1-[5-(chloromethyl)-2-pyridinyl]-4-methylpiperazine;hydrochloride (PubChem CID 133058572) has the molecular formula C11H17Cl2N3 and a molecular weight of 262.18 g/mol. Its IUPAC name is 1-[5-(chloromethyl)-2-pyridinyl]-4-methylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[5-(chloromethyl)-2-pyridinyl]-4-methylpiperazine;hydrochloride
PubChem CID133058572
Molecular FormulaC11H17Cl2N3
Molecular Weight262.18 g/mol
Exact Mass261.08
IUPAC Name1-[5-(chloromethyl)-2-pyridinyl]-4-methylpiperazine;hydrochloride
SMILESCN1CCN(c2ccc(CCl)cn2)CC1.Cl
InChIInChI=1S/C11H16ClN3.ClH/c1-14-4-6-15(7-5-14)11-3-2-10(8-12)9-13-11;/h2-3,9H,4-8H2,1H3;1H
InChIKeyPWPLNKIBQZUJEU-UHFFFAOYSA-N
XLogP1.99
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-[5-(chloromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide
CID 61256629
2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetic acid
CID 83896648
5-(chloromethyl)-2-(4-propylpiperidin-1-yl)pyridine
CID 62206468
N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 55054608
1-[5-(chloromethyl)-2-pyridinyl]-4-(3-chlorophenyl)piperazine
CID 61256997
5-(chloromethyl)-2-(3,5-dimethylpiperidin-1-yl)pyridine
CID 61257198
5-(chloromethyl)-2-(3-ethyl-3-methylazetidin-1-yl)pyridine
CID 131025881
1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine
CID 58798727
1-methyl-4-[[4-(6-pyrrolidin-1-yl-3-pyridinyl)phenyl]methyl]piperazine
CID 146252821
2-(4-benzylpiperidin-1-yl)-5-(chloromethyl)pyridine
CID 61255545
3-amino-2-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]butanamide;trihydrochloride
CID 120504383
6-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]pyridin-2-amine
CID 133481724

Frequently Asked Questions

What is the IUPAC name of 1-[5-(chloromethyl)-2-pyridinyl]-4-methylpiperazine;hydrochloride?
The IUPAC name of 1-[5-(chloromethyl)-2-pyridinyl]-4-methylpiperazine;hydrochloride (CID 133058572) is 1-[5-(chloromethyl)-2-pyridinyl]-4-methylpiperazine;hydrochloride.
What is the SMILES notation for 1-[5-(chloromethyl)-2-pyridinyl]-4-methylpiperazine;hydrochloride?
The canonical SMILES for 1-[5-(chloromethyl)-2-pyridinyl]-4-methylpiperazine;hydrochloride is CN1CCN(c2ccc(CCl)cn2)CC1.Cl.
What is the InChIKey of 1-[5-(chloromethyl)-2-pyridinyl]-4-methylpiperazine;hydrochloride?
The InChIKey is PWPLNKIBQZUJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3.ClH/c1-14-4-6-15(7-5-14)11-3-2-10(8-12)9-13-11;/h2-3,9H,4-8H2,1H3;1H.
What are the key properties of 1-[5-(chloromethyl)-2-pyridinyl]-4-methylpiperazine;hydrochloride?
1-[5-(chloromethyl)-2-pyridinyl]-4-methylpiperazine;hydrochloride has a molecular weight of 262.18 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(chloromethyl)-2-pyridinyl]-4-methylpiperazine;hydrochloride is sourced from PubChem (CID 133058572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).