2-(4-chlorophenyl)ethyl 4-(2-chlorophenyl)piperazine-1-carboxylate

C19H20Cl2N2O2 — CID 6733654

IUPAC2-(4-chlorophenyl)ethyl 4-(2-chlorophenyl)piperazine-1-carboxylate
SMILESO=C(OCCc1ccc(Cl)cc1)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C19H20Cl2N2O2/c20-16-7-5-15(6-8-16)9-14-25-19(24)23-12-10-22(11-13-23)18-4-2-1-3-17(18)21/h1-8H,9-14H2
InChIKeyNMQYDBNKZBCTID-UHFFFAOYSA-N
MW379.29 g/mol
LogP4.49
Rot. Bonds4

About 2-(4-chlorophenyl)ethyl 4-(2-chlorophenyl)piperazine-1-carboxylate

2-(4-chlorophenyl)ethyl 4-(2-chlorophenyl)piperazine-1-carboxylate (PubChem CID 6733654) has the molecular formula C19H20Cl2N2O2 and a molecular weight of 379.29 g/mol. Its IUPAC name is 2-(4-chlorophenyl)ethyl 4-(2-chlorophenyl)piperazine-1-carboxylate.

Molecular Properties

Compound Name2-(4-chlorophenyl)ethyl 4-(2-chlorophenyl)piperazine-1-carboxylate
PubChem CID6733654
Molecular FormulaC19H20Cl2N2O2
Molecular Weight379.29 g/mol
Exact Mass378.09
IUPAC Name2-(4-chlorophenyl)ethyl 4-(2-chlorophenyl)piperazine-1-carboxylate
SMILESO=C(OCCc1ccc(Cl)cc1)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C19H20Cl2N2O2/c20-16-7-5-15(6-8-16)9-14-25-19(24)23-12-10-22(11-13-23)18-4-2-1-3-17(18)21/h1-8H,9-14H2
InChIKeyNMQYDBNKZBCTID-UHFFFAOYSA-N
XLogP4.49
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

thiophosphoroso 4-(2-chlorophenyl)piperazine-1-carboxylate
CID 130185150
1-O-ethyl 4-O-[2-(4-methylphenyl)ethyl] piperazine-1,4-dicarboxylate
CID 6735988
4-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]butan-1-one
CID 28933889
ethyl 4-(3-chloro-2-formylphenyl)piperazine-1-carboxylate
CID 107877137
2-(4-chlorophenyl)ethyl 8-(4-methylpiperazin-1-yl)naphthalene-2-carboxylate
CID 67626676
benzyl 4-(2-hydroxyphenyl)piperazine-1-carboxylate
CID 19034142
1-[4-(2-chlorophenyl)piperazin-1-yl]-3-phenylsulfanylpropan-1-one
CID 78782073
1-[4-(2-chlorophenyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 25130950
1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(2,4-dichlorophenoxy)ethanone
CID 9013636
2-(4-chlorophenyl)ethyl carbamate
CID 90103604
(2S)-2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]propan-1-one
CID 28933878
benzyl 4-(2-aminophenyl)piperazine-1-carboxylate
CID 118318710

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)ethyl 4-(2-chlorophenyl)piperazine-1-carboxylate?
The IUPAC name of 2-(4-chlorophenyl)ethyl 4-(2-chlorophenyl)piperazine-1-carboxylate (CID 6733654) is 2-(4-chlorophenyl)ethyl 4-(2-chlorophenyl)piperazine-1-carboxylate.
What is the SMILES notation for 2-(4-chlorophenyl)ethyl 4-(2-chlorophenyl)piperazine-1-carboxylate?
The canonical SMILES for 2-(4-chlorophenyl)ethyl 4-(2-chlorophenyl)piperazine-1-carboxylate is O=C(OCCc1ccc(Cl)cc1)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 2-(4-chlorophenyl)ethyl 4-(2-chlorophenyl)piperazine-1-carboxylate?
The InChIKey is NMQYDBNKZBCTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O2/c20-16-7-5-15(6-8-16)9-14-25-19(24)23-12-10-22(11-13-23)18-4-2-1-3-17(18)21/h1-8H,9-14H2.
What are the key properties of 2-(4-chlorophenyl)ethyl 4-(2-chlorophenyl)piperazine-1-carboxylate?
2-(4-chlorophenyl)ethyl 4-(2-chlorophenyl)piperazine-1-carboxylate has a molecular weight of 379.29 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)ethyl 4-(2-chlorophenyl)piperazine-1-carboxylate is sourced from PubChem (CID 6733654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).