1-[(2-chloro-4-methylphenyl)methyl]-2,5,5-triethylpiperazine

C18H29ClN2 — CID 106870391

IUPAC1-[(2-chloro-4-methylphenyl)methyl]-2,5,5-triethylpiperazine
SMILESCCC1CNC(CC)(CC)CN1Cc1ccc(C)cc1Cl
InChIInChI=1S/C18H29ClN2/c1-5-16-11-20-18(6-2,7-3)13-21(16)12-15-9-8-14(4)10-17(15)19/h8-10,16,20H,5-7,11-13H2,1-4H3
InChIKeyQJVBEDGARRKWKH-UHFFFAOYSA-N
MW308.90 g/mol
LogP4.39
Rot. Bonds5

About 1-[(2-chloro-4-methylphenyl)methyl]-2,5,5-triethylpiperazine

1-[(2-chloro-4-methylphenyl)methyl]-2,5,5-triethylpiperazine (PubChem CID 106870391) has the molecular formula C18H29ClN2 and a molecular weight of 308.90 g/mol. Its IUPAC name is 1-[(2-chloro-4-methylphenyl)methyl]-2,5,5-triethylpiperazine.

Molecular Properties

Compound Name1-[(2-chloro-4-methylphenyl)methyl]-2,5,5-triethylpiperazine
PubChem CID106870391
Molecular FormulaC18H29ClN2
Molecular Weight308.90 g/mol
Exact Mass308.20
IUPAC Name1-[(2-chloro-4-methylphenyl)methyl]-2,5,5-triethylpiperazine
SMILESCCC1CNC(CC)(CC)CN1Cc1ccc(C)cc1Cl
InChIInChI=1S/C18H29ClN2/c1-5-16-11-20-18(6-2,7-3)13-21(16)12-15-9-8-14(4)10-17(15)19/h8-10,16,20H,5-7,11-13H2,1-4H3
InChIKeyQJVBEDGARRKWKH-UHFFFAOYSA-N
XLogP4.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.90
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5,5-triethyl-1-[(4-methyl-3-pyridinyl)methyl]piperazine
CID 114957678
9-[(2-chloro-4-fluorophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane
CID 64877362
1-[(2,6-difluorophenyl)methyl]-2,5,5-triethylpiperazine
CID 114934626
2,5,5-triethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine
CID 64947930
2,5,5-triethyl-1-(pyridin-2-ylmethyl)piperazine
CID 64861194
9-[(2-chlorophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane
CID 64875826
1-(5-bromo-2-chlorophenyl)-2,5,5-triethylpiperazine
CID 64940782
1-(2,5-dichlorophenyl)-2,5,5-triethylpiperazine
CID 64934480
1-[(2-chloro-4-methylphenyl)methyl]-3-ethyl-3-methylpiperazine
CID 106870298
2-ethyl-1-[(2-ethylphenyl)methyl]-5,5-dimethylpiperazine
CID 64940709
2,5,5-triethyl-1-[(6-methoxy-2-pyridinyl)methyl]piperazine
CID 64861386
1-[(3,4-dichlorophenyl)methyl]-2-ethyl-5,5-dimethylpiperazine
CID 64840451

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-methylphenyl)methyl]-2,5,5-triethylpiperazine?
The IUPAC name of 1-[(2-chloro-4-methylphenyl)methyl]-2,5,5-triethylpiperazine (CID 106870391) is 1-[(2-chloro-4-methylphenyl)methyl]-2,5,5-triethylpiperazine.
What is the SMILES notation for 1-[(2-chloro-4-methylphenyl)methyl]-2,5,5-triethylpiperazine?
The canonical SMILES for 1-[(2-chloro-4-methylphenyl)methyl]-2,5,5-triethylpiperazine is CCC1CNC(CC)(CC)CN1Cc1ccc(C)cc1Cl.
What is the InChIKey of 1-[(2-chloro-4-methylphenyl)methyl]-2,5,5-triethylpiperazine?
The InChIKey is QJVBEDGARRKWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClN2/c1-5-16-11-20-18(6-2,7-3)13-21(16)12-15-9-8-14(4)10-17(15)19/h8-10,16,20H,5-7,11-13H2,1-4H3.
What are the key properties of 1-[(2-chloro-4-methylphenyl)methyl]-2,5,5-triethylpiperazine?
1-[(2-chloro-4-methylphenyl)methyl]-2,5,5-triethylpiperazine has a molecular weight of 308.90 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-methylphenyl)methyl]-2,5,5-triethylpiperazine is sourced from PubChem (CID 106870391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).