3-(6-chloro-3-pyridinyl)-1-methylpiperazine

C10H14ClN3 — CID 131537539

IUPAC3-(6-chloro-3-pyridinyl)-1-methylpiperazine
SMILESCN1CCNC(c2ccc(Cl)nc2)C1
InChIInChI=1S/C10H14ClN3/c1-14-5-4-12-9(7-14)8-2-3-10(11)13-6-8/h2-3,6,9,12H,4-5,7H2,1H3
InChIKeyBHTILCDDBOLPLE-UHFFFAOYSA-N
MW211.70 g/mol
LogP1.31
Rot. Bonds1

About 3-(6-chloro-3-pyridinyl)-1-methylpiperazine

3-(6-chloro-3-pyridinyl)-1-methylpiperazine (PubChem CID 131537539) has the molecular formula C10H14ClN3 and a molecular weight of 211.70 g/mol. Its IUPAC name is 3-(6-chloro-3-pyridinyl)-1-methylpiperazine.

Molecular Properties

Compound Name3-(6-chloro-3-pyridinyl)-1-methylpiperazine
PubChem CID131537539
Molecular FormulaC10H14ClN3
Molecular Weight211.70 g/mol
Exact Mass211.09
IUPAC Name3-(6-chloro-3-pyridinyl)-1-methylpiperazine
SMILESCN1CCNC(c2ccc(Cl)nc2)C1
InChIInChI=1S/C10H14ClN3/c1-14-5-4-12-9(7-14)8-2-3-10(11)13-6-8/h2-3,6,9,12H,4-5,7H2,1H3
InChIKeyBHTILCDDBOLPLE-UHFFFAOYSA-N
XLogP1.31
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.70
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-(4-methylpiperazin-2-yl)aniline
CID 66617407
2-chloro-5-[(2S)-piperidin-2-yl]pyridine;dihydrochloride
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2-chloro-5-[(2S)-piperidin-2-yl]pyridine;hydrochloride
CID 171194804
1-methyl-3-(1-methylpyrrol-3-yl)piperazine
CID 82280749
2-(4-methylpiperazin-2-yl)-1,3-oxazole
CID 69278640
3-(3,4-diethoxyphenyl)-1-methylpiperazine
CID 116989258
8-(4-methylpiperazin-2-yl)-5H-pyrido[4,3-b]indole
CID 116985884
(3R)-1-methyl-3-phenyl-1,4-diazepane
CID 94983002
3-(4-methoxy-3-propan-2-ylphenyl)-1-methylpiperazine
CID 82118990
2-[2-(6-chloro-3-pyridinyl)cyclopropyl]-4-methylmorpholine
CID 178122839
3-[4-[cyclopropyl(difluoro)methyl]phenyl]-1-methylpiperazine
CID 116992387
1-methyl-3-(5-phenyl-1H-imidazol-2-yl)piperazine
CID 116881118

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-3-pyridinyl)-1-methylpiperazine?
The IUPAC name of 3-(6-chloro-3-pyridinyl)-1-methylpiperazine (CID 131537539) is 3-(6-chloro-3-pyridinyl)-1-methylpiperazine.
What is the SMILES notation for 3-(6-chloro-3-pyridinyl)-1-methylpiperazine?
The canonical SMILES for 3-(6-chloro-3-pyridinyl)-1-methylpiperazine is CN1CCNC(c2ccc(Cl)nc2)C1.
What is the InChIKey of 3-(6-chloro-3-pyridinyl)-1-methylpiperazine?
The InChIKey is BHTILCDDBOLPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3/c1-14-5-4-12-9(7-14)8-2-3-10(11)13-6-8/h2-3,6,9,12H,4-5,7H2,1H3.
What are the key properties of 3-(6-chloro-3-pyridinyl)-1-methylpiperazine?
3-(6-chloro-3-pyridinyl)-1-methylpiperazine has a molecular weight of 211.70 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-3-pyridinyl)-1-methylpiperazine is sourced from PubChem (CID 131537539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).