1-[(2-chloro-3-pyridinyl)methyl]-2,5-diethylpiperazine

C14H22ClN3 — CID 64979145

IUPAC1-[(2-chloro-3-pyridinyl)methyl]-2,5-diethylpiperazine
SMILESCCC1CN(Cc2cccnc2Cl)C(CC)CN1
InChIInChI=1S/C14H22ClN3/c1-3-12-10-18(13(4-2)8-17-12)9-11-6-5-7-16-14(11)15/h5-7,12-13,17H,3-4,8-10H2,1-2H3
InChIKeyAUXIKNLZRMJCFP-UHFFFAOYSA-N
MW267.80 g/mol
LogP2.70
Rot. Bonds4

About 1-[(2-chloro-3-pyridinyl)methyl]-2,5-diethylpiperazine

1-[(2-chloro-3-pyridinyl)methyl]-2,5-diethylpiperazine (PubChem CID 64979145) has the molecular formula C14H22ClN3 and a molecular weight of 267.80 g/mol. Its IUPAC name is 1-[(2-chloro-3-pyridinyl)methyl]-2,5-diethylpiperazine.

Molecular Properties

Compound Name1-[(2-chloro-3-pyridinyl)methyl]-2,5-diethylpiperazine
PubChem CID64979145
Molecular FormulaC14H22ClN3
Molecular Weight267.80 g/mol
Exact Mass267.15
IUPAC Name1-[(2-chloro-3-pyridinyl)methyl]-2,5-diethylpiperazine
SMILESCCC1CN(Cc2cccnc2Cl)C(CC)CN1
InChIInChI=1S/C14H22ClN3/c1-3-12-10-18(13(4-2)8-17-12)9-11-6-5-7-16-14(11)15/h5-7,12-13,17H,3-4,8-10H2,1-2H3
InChIKeyAUXIKNLZRMJCFP-UHFFFAOYSA-N
XLogP2.70
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 52.70
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

2,5-diethyl-1-(2-pyridin-2-ylethyl)piperazine
CID 64933750
1-[(3,5-dichlorophenyl)methyl]-2,5-diethylpiperazine
CID 64977817
1-[(3,4-dichlorophenyl)methyl]-2,5-diethylpiperazine
CID 64842881
2,5-diethyl-1-[(4-ethylphenyl)methyl]piperazine
CID 64842304
2-[(2,5-diethylpiperazin-1-yl)methyl]-1,3-thiazole
CID 64946674
8-[(2-ethyl-5-methylpiperazin-1-yl)methyl]quinoline
CID 64845277
1-[(5-chloro-2-nitrophenyl)methyl]-2,5-diethylpiperazine
CID 79556979
2,5-diethyl-1-[(2-methylpyrazol-3-yl)methyl]piperazine
CID 64977800
5-ethyl-1-[(3-ethyl-2-pyridinyl)methyl]-2-methylpiperazine
CID 82745598
2-ethyl-5-methyl-1-(pyridin-2-ylmethyl)piperazine
CID 64844286
5-tert-butyl-2-ethyl-1-(pyridin-2-ylmethyl)piperazine
CID 64842793
2-chloro-5-[(2,5-diethylpiperazin-1-yl)methyl]-1,3,4-thiadiazole
CID 80606647

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-3-pyridinyl)methyl]-2,5-diethylpiperazine?
The IUPAC name of 1-[(2-chloro-3-pyridinyl)methyl]-2,5-diethylpiperazine (CID 64979145) is 1-[(2-chloro-3-pyridinyl)methyl]-2,5-diethylpiperazine.
What is the SMILES notation for 1-[(2-chloro-3-pyridinyl)methyl]-2,5-diethylpiperazine?
The canonical SMILES for 1-[(2-chloro-3-pyridinyl)methyl]-2,5-diethylpiperazine is CCC1CN(Cc2cccnc2Cl)C(CC)CN1.
What is the InChIKey of 1-[(2-chloro-3-pyridinyl)methyl]-2,5-diethylpiperazine?
The InChIKey is AUXIKNLZRMJCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3/c1-3-12-10-18(13(4-2)8-17-12)9-11-6-5-7-16-14(11)15/h5-7,12-13,17H,3-4,8-10H2,1-2H3.
What are the key properties of 1-[(2-chloro-3-pyridinyl)methyl]-2,5-diethylpiperazine?
1-[(2-chloro-3-pyridinyl)methyl]-2,5-diethylpiperazine has a molecular weight of 267.80 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-3-pyridinyl)methyl]-2,5-diethylpiperazine is sourced from PubChem (CID 64979145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).