1-(4-benzylphenyl)-4-(2-chloroethyl)piperazine

C19H23ClN2 — CID 4741784

IUPAC1-(4-benzylphenyl)-4-(2-chloroethyl)piperazine
SMILESClCCN1CCN(c2ccc(Cc3ccccc3)cc2)CC1
InChIInChI=1S/C19H23ClN2/c20-10-11-21-12-14-22(15-13-21)19-8-6-18(7-9-19)16-17-4-2-1-3-5-17/h1-9H,10-16H2
InChIKeyRJVZFUNCVGLASL-UHFFFAOYSA-N
MW314.86 g/mol
LogP3.64
Rot. Bonds5

About 1-(4-benzylphenyl)-4-(2-chloroethyl)piperazine

1-(4-benzylphenyl)-4-(2-chloroethyl)piperazine (PubChem CID 4741784) has the molecular formula C19H23ClN2 and a molecular weight of 314.86 g/mol. Its IUPAC name is 1-(4-benzylphenyl)-4-(2-chloroethyl)piperazine.

Molecular Properties

Compound Name1-(4-benzylphenyl)-4-(2-chloroethyl)piperazine
PubChem CID4741784
Molecular FormulaC19H23ClN2
Molecular Weight314.86 g/mol
Exact Mass314.15
IUPAC Name1-(4-benzylphenyl)-4-(2-chloroethyl)piperazine
SMILESClCCN1CCN(c2ccc(Cc3ccccc3)cc2)CC1
InChIInChI=1S/C19H23ClN2/c20-10-11-21-12-14-22(15-13-21)19-8-6-18(7-9-19)16-17-4-2-1-3-5-17/h1-9H,10-16H2
InChIKeyRJVZFUNCVGLASL-UHFFFAOYSA-N
XLogP3.64
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloroethyl)-4-(4-chlorophenyl)piperazine;dihydrochloride
CID 11461707
1-(2-chloroethyl)-4-(2-phenylethyl)piperazine
CID 10264250
4-(4-benzylphenyl)morpholine
CID 11514364
1-benzyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine
CID 171911015
1-(4-benzylphenyl)piperazine
CID 4738749
1-benzyl-4-[4-(bromomethyl)phenyl]piperazine
CID 107079129
1-(2-chloroethyl)-4-[4-(trifluoromethyl)phenyl]piperazine
CID 63392477
1-(2-phenylethyl)-4-[4-(piperazin-1-ylmethyl)phenyl]piperazine
CID 134565672
1-[3-(4-benzylphenoxy)propyl]-4-pyridin-4-ylpiperazine
CID 162666847
4-[4-(6-phenylhexyl)piperazin-1-yl]phenol
CID 69479444
4-[4-(4-benzylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051572
1-[[4-(fluoromethyl)phenyl]methyl]-4-phenylpiperazine
CID 11859050

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylphenyl)-4-(2-chloroethyl)piperazine?
The IUPAC name of 1-(4-benzylphenyl)-4-(2-chloroethyl)piperazine (CID 4741784) is 1-(4-benzylphenyl)-4-(2-chloroethyl)piperazine.
What is the SMILES notation for 1-(4-benzylphenyl)-4-(2-chloroethyl)piperazine?
The canonical SMILES for 1-(4-benzylphenyl)-4-(2-chloroethyl)piperazine is ClCCN1CCN(c2ccc(Cc3ccccc3)cc2)CC1.
What is the InChIKey of 1-(4-benzylphenyl)-4-(2-chloroethyl)piperazine?
The InChIKey is RJVZFUNCVGLASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2/c20-10-11-21-12-14-22(15-13-21)19-8-6-18(7-9-19)16-17-4-2-1-3-5-17/h1-9H,10-16H2.
What are the key properties of 1-(4-benzylphenyl)-4-(2-chloroethyl)piperazine?
1-(4-benzylphenyl)-4-(2-chloroethyl)piperazine has a molecular weight of 314.86 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylphenyl)-4-(2-chloroethyl)piperazine is sourced from PubChem (CID 4741784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).