1-(2-chloroethyl)-4-[(4-ethylphenyl)methyl]piperazine

C15H23ClN2 — CID 63386568

IUPAC1-(2-chloroethyl)-4-[(4-ethylphenyl)methyl]piperazine
SMILESCCc1ccc(CN2CCN(CCCl)CC2)cc1
InChIInChI=1S/C15H23ClN2/c1-2-14-3-5-15(6-4-14)13-18-11-9-17(8-7-16)10-12-18/h3-6H,2,7-13H2,1H3
InChIKeyMKTNOOJJTMSCOQ-UHFFFAOYSA-N
MW266.82 g/mol
LogP2.61
Rot. Bonds5

About 1-(2-chloroethyl)-4-[(4-ethylphenyl)methyl]piperazine

1-(2-chloroethyl)-4-[(4-ethylphenyl)methyl]piperazine (PubChem CID 63386568) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 1-(2-chloroethyl)-4-[(4-ethylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(2-chloroethyl)-4-[(4-ethylphenyl)methyl]piperazine
PubChem CID63386568
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name1-(2-chloroethyl)-4-[(4-ethylphenyl)methyl]piperazine
SMILESCCc1ccc(CN2CCN(CCCl)CC2)cc1
InChIInChI=1S/C15H23ClN2/c1-2-14-3-5-15(6-4-14)13-18-11-9-17(8-7-16)10-12-18/h3-6H,2,7-13H2,1H3
InChIKeyMKTNOOJJTMSCOQ-UHFFFAOYSA-N
XLogP2.61
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 52.61
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-[(4-ethylphenyl)methyl]-4-methylpiperazine
CID 785815
1-(2-chloroethyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine
CID 55183481
1-[(4-chlorophenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine
CID 877900
1-[(4-ethylphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine
CID 881940
1-(2-chloroethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 63386669
1-[(4-chlorophenyl)methyl]-4-propylpiperazine
CID 22196915
1-[(4-ethylphenyl)methyl]-4-ethylsulfonylpiperazine
CID 770584
1-[(4-ethylphenyl)methyl]piperidin-4-one
CID 11959577
ethane;1-[(4-ethylphenyl)methyl]-4-[2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]piperazine
CID 155740003
4-bromo-1-[(4-ethylphenyl)methyl]piperidine
CID 80679591
1-[[4-(4-ethylphenyl)phenyl]methyl]-4-methyl-1,4-diazepane;bis(1-methyl-4-[[4-(4-methylphenyl)phenyl]methyl]-1,4-diazepane)
CID 158603186
1-(2-chloroethyl)-4-[(3-fluorophenyl)methyl]-1,4-diazepane
CID 63387530

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethyl)-4-[(4-ethylphenyl)methyl]piperazine?
The IUPAC name of 1-(2-chloroethyl)-4-[(4-ethylphenyl)methyl]piperazine (CID 63386568) is 1-(2-chloroethyl)-4-[(4-ethylphenyl)methyl]piperazine.
What is the SMILES notation for 1-(2-chloroethyl)-4-[(4-ethylphenyl)methyl]piperazine?
The canonical SMILES for 1-(2-chloroethyl)-4-[(4-ethylphenyl)methyl]piperazine is CCc1ccc(CN2CCN(CCCl)CC2)cc1.
What is the InChIKey of 1-(2-chloroethyl)-4-[(4-ethylphenyl)methyl]piperazine?
The InChIKey is MKTNOOJJTMSCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-2-14-3-5-15(6-4-14)13-18-11-9-17(8-7-16)10-12-18/h3-6H,2,7-13H2,1H3.
What are the key properties of 1-(2-chloroethyl)-4-[(4-ethylphenyl)methyl]piperazine?
1-(2-chloroethyl)-4-[(4-ethylphenyl)methyl]piperazine has a molecular weight of 266.82 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethyl)-4-[(4-ethylphenyl)methyl]piperazine is sourced from PubChem (CID 63386568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).