1-[(4-bromophenyl)-phenylmethyl]-4-ethylpiperazine

C19H23BrN2 — CID 118119342

IUPAC1-[(4-bromophenyl)-phenylmethyl]-4-ethylpiperazine
SMILESCCN1CCN(C(c2ccccc2)c2ccc(Br)cc2)CC1
InChIInChI=1S/C19H23BrN2/c1-2-21-12-14-22(15-13-21)19(16-6-4-3-5-7-16)17-8-10-18(20)11-9-17/h3-11,19H,2,12-15H2,1H3
InChIKeyZABXGRCMSFYKOV-UHFFFAOYSA-N
MW359.31 g/mol
LogP4.18
Rot. Bonds4

About 1-[(4-bromophenyl)-phenylmethyl]-4-ethylpiperazine

1-[(4-bromophenyl)-phenylmethyl]-4-ethylpiperazine (PubChem CID 118119342) has the molecular formula C19H23BrN2 and a molecular weight of 359.31 g/mol. Its IUPAC name is 1-[(4-bromophenyl)-phenylmethyl]-4-ethylpiperazine.

Molecular Properties

Compound Name1-[(4-bromophenyl)-phenylmethyl]-4-ethylpiperazine
PubChem CID118119342
Molecular FormulaC19H23BrN2
Molecular Weight359.31 g/mol
Exact Mass358.10
IUPAC Name1-[(4-bromophenyl)-phenylmethyl]-4-ethylpiperazine
SMILESCCN1CCN(C(c2ccccc2)c2ccc(Br)cc2)CC1
InChIInChI=1S/C19H23BrN2/c1-2-21-12-14-22(15-13-21)19(16-6-4-3-5-7-16)17-8-10-18(20)11-9-17/h3-11,19H,2,12-15H2,1H3
InChIKeyZABXGRCMSFYKOV-UHFFFAOYSA-N
XLogP4.18
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)-phenylmethyl]-4-ethylpiperazine?
The IUPAC name of 1-[(4-bromophenyl)-phenylmethyl]-4-ethylpiperazine (CID 118119342) is 1-[(4-bromophenyl)-phenylmethyl]-4-ethylpiperazine.
What is the SMILES notation for 1-[(4-bromophenyl)-phenylmethyl]-4-ethylpiperazine?
The canonical SMILES for 1-[(4-bromophenyl)-phenylmethyl]-4-ethylpiperazine is CCN1CCN(C(c2ccccc2)c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-[(4-bromophenyl)-phenylmethyl]-4-ethylpiperazine?
The InChIKey is ZABXGRCMSFYKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2/c1-2-21-12-14-22(15-13-21)19(16-6-4-3-5-7-16)17-8-10-18(20)11-9-17/h3-11,19H,2,12-15H2,1H3.
What are the key properties of 1-[(4-bromophenyl)-phenylmethyl]-4-ethylpiperazine?
1-[(4-bromophenyl)-phenylmethyl]-4-ethylpiperazine has a molecular weight of 359.31 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)-phenylmethyl]-4-ethylpiperazine is sourced from PubChem (CID 118119342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).