1-[bis(4-chlorophenyl)methyl]-4-ethylpiperazine

C19H22Cl2N2 — CID 91799670

IUPAC1-[bis(4-chlorophenyl)methyl]-4-ethylpiperazine
SMILESCCN1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H22Cl2N2/c1-2-22-11-13-23(14-12-22)19(15-3-7-17(20)8-4-15)16-5-9-18(21)10-6-16/h3-10,19H,2,11-14H2,1H3
InChIKeyDVVTUWFUPPBVLS-UHFFFAOYSA-N
MW349.31 g/mol
LogP4.72
Rot. Bonds4

About 1-[bis(4-chlorophenyl)methyl]-4-ethylpiperazine

1-[bis(4-chlorophenyl)methyl]-4-ethylpiperazine (PubChem CID 91799670) has the molecular formula C19H22Cl2N2 and a molecular weight of 349.31 g/mol. Its IUPAC name is 1-[bis(4-chlorophenyl)methyl]-4-ethylpiperazine.

Molecular Properties

Compound Name1-[bis(4-chlorophenyl)methyl]-4-ethylpiperazine
PubChem CID91799670
Molecular FormulaC19H22Cl2N2
Molecular Weight349.31 g/mol
Exact Mass348.12
IUPAC Name1-[bis(4-chlorophenyl)methyl]-4-ethylpiperazine
SMILESCCN1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H22Cl2N2/c1-2-22-11-13-23(14-12-22)19(15-3-7-17(20)8-4-15)16-5-9-18(21)10-6-16/h3-10,19H,2,11-14H2,1H3
InChIKeyDVVTUWFUPPBVLS-UHFFFAOYSA-N
XLogP4.72
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[bis(4-chlorophenyl)methyl]-4-ethylpiperazine?
The IUPAC name of 1-[bis(4-chlorophenyl)methyl]-4-ethylpiperazine (CID 91799670) is 1-[bis(4-chlorophenyl)methyl]-4-ethylpiperazine.
What is the SMILES notation for 1-[bis(4-chlorophenyl)methyl]-4-ethylpiperazine?
The canonical SMILES for 1-[bis(4-chlorophenyl)methyl]-4-ethylpiperazine is CCN1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[bis(4-chlorophenyl)methyl]-4-ethylpiperazine?
The InChIKey is DVVTUWFUPPBVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2/c1-2-22-11-13-23(14-12-22)19(15-3-7-17(20)8-4-15)16-5-9-18(21)10-6-16/h3-10,19H,2,11-14H2,1H3.
What are the key properties of 1-[bis(4-chlorophenyl)methyl]-4-ethylpiperazine?
1-[bis(4-chlorophenyl)methyl]-4-ethylpiperazine has a molecular weight of 349.31 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(4-chlorophenyl)methyl]-4-ethylpiperazine is sourced from PubChem (CID 91799670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).