1-(2-chloroethyl)-4-(2,4,5-trimethylphenyl)piperazine

C15H23ClN2 — CID 4741826

IUPAC1-(2-chloroethyl)-4-(2,4,5-trimethylphenyl)piperazine
SMILESCc1cc(C)c(N2CCN(CCCl)CC2)cc1C
InChIInChI=1S/C15H23ClN2/c1-12-10-14(3)15(11-13(12)2)18-8-6-17(5-4-16)7-9-18/h10-11H,4-9H2,1-3H3
InChIKeyRFCRMTZZIHNRNO-UHFFFAOYSA-N
MW266.82 g/mol
LogP2.97
Rot. Bonds3

About 1-(2-chloroethyl)-4-(2,4,5-trimethylphenyl)piperazine

1-(2-chloroethyl)-4-(2,4,5-trimethylphenyl)piperazine (PubChem CID 4741826) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 1-(2-chloroethyl)-4-(2,4,5-trimethylphenyl)piperazine.

Molecular Properties

Compound Name1-(2-chloroethyl)-4-(2,4,5-trimethylphenyl)piperazine
PubChem CID4741826
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name1-(2-chloroethyl)-4-(2,4,5-trimethylphenyl)piperazine
SMILESCc1cc(C)c(N2CCN(CCCl)CC2)cc1C
InChIInChI=1S/C15H23ClN2/c1-12-10-14(3)15(11-13(12)2)18-8-6-17(5-4-16)7-9-18/h10-11H,4-9H2,1-3H3
InChIKeyRFCRMTZZIHNRNO-UHFFFAOYSA-N
XLogP2.97
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloroethyl)-4-(2,4-dimethylphenyl)piperazine
CID 4741820
1-(2-chloroethyl)-4-(2,3-dimethylphenyl)piperazine
CID 61286908
4-[4-(2-chloroethyl)piperazin-1-yl]-2-methylquinoline
CID 63392682
4-(4-ethylpiperazin-1-yl)-2,5-dimethylbenzaldehyde
CID 165452447
5-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]pentanenitrile
CID 78823634
1-butyl-4-(2-chloro-4-fluoro-5-methylphenyl)piperazine
CID 141108645
1-(2-chloroethyl)-4-[2-(trifluoromethyl)phenyl]-1,4-diazepane
CID 63392309
3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propan-1-ol
CID 15572518
4-[4-(2-chloroethyl)piperazin-1-yl]-2-methylpyrimidine
CID 63392077
1-(3-bromo-4-pyridinyl)-4-(2-chloroethyl)piperazine
CID 104779395
1-(2-chloroethyl)-4-[4-(trifluoromethyl)phenyl]piperazine
CID 63392477
1-(2-chloroethyl)-4-(4-chlorophenyl)piperazine;dihydrochloride
CID 11461707

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethyl)-4-(2,4,5-trimethylphenyl)piperazine?
The IUPAC name of 1-(2-chloroethyl)-4-(2,4,5-trimethylphenyl)piperazine (CID 4741826) is 1-(2-chloroethyl)-4-(2,4,5-trimethylphenyl)piperazine.
What is the SMILES notation for 1-(2-chloroethyl)-4-(2,4,5-trimethylphenyl)piperazine?
The canonical SMILES for 1-(2-chloroethyl)-4-(2,4,5-trimethylphenyl)piperazine is Cc1cc(C)c(N2CCN(CCCl)CC2)cc1C.
What is the InChIKey of 1-(2-chloroethyl)-4-(2,4,5-trimethylphenyl)piperazine?
The InChIKey is RFCRMTZZIHNRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-12-10-14(3)15(11-13(12)2)18-8-6-17(5-4-16)7-9-18/h10-11H,4-9H2,1-3H3.
What are the key properties of 1-(2-chloroethyl)-4-(2,4,5-trimethylphenyl)piperazine?
1-(2-chloroethyl)-4-(2,4,5-trimethylphenyl)piperazine has a molecular weight of 266.82 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethyl)-4-(2,4,5-trimethylphenyl)piperazine is sourced from PubChem (CID 4741826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).