1-[(4-ethylphenyl)methyl]-4-methylpiperazine

C14H22N2 — CID 785815

IUPAC1-[(4-ethylphenyl)methyl]-4-methylpiperazine
SMILESCCc1ccc(CN2CCN(C)CC2)cc1
InChIInChI=1S/C14H22N2/c1-3-13-4-6-14(7-5-13)12-16-10-8-15(2)9-11-16/h4-7H,3,8-12H2,1-2H3
InChIKeyBBNBYFMJDSRXQL-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.00
Rot. Bonds3

About 1-[(4-ethylphenyl)methyl]-4-methylpiperazine

1-[(4-ethylphenyl)methyl]-4-methylpiperazine (PubChem CID 785815) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-[(4-ethylphenyl)methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(4-ethylphenyl)methyl]-4-methylpiperazine
PubChem CID785815
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name1-[(4-ethylphenyl)methyl]-4-methylpiperazine
SMILESCCc1ccc(CN2CCN(C)CC2)cc1
InChIInChI=1S/C14H22N2/c1-3-13-4-6-14(7-5-13)12-16-10-8-15(2)9-11-16/h4-7H,3,8-12H2,1-2H3
InChIKeyBBNBYFMJDSRXQL-UHFFFAOYSA-N
XLogP2.00
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylphenyl)methyl]-4-methylpiperazine?
The IUPAC name of 1-[(4-ethylphenyl)methyl]-4-methylpiperazine (CID 785815) is 1-[(4-ethylphenyl)methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(4-ethylphenyl)methyl]-4-methylpiperazine?
The canonical SMILES for 1-[(4-ethylphenyl)methyl]-4-methylpiperazine is CCc1ccc(CN2CCN(C)CC2)cc1.
What is the InChIKey of 1-[(4-ethylphenyl)methyl]-4-methylpiperazine?
The InChIKey is BBNBYFMJDSRXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-3-13-4-6-14(7-5-13)12-16-10-8-15(2)9-11-16/h4-7H,3,8-12H2,1-2H3.
What are the key properties of 1-[(4-ethylphenyl)methyl]-4-methylpiperazine?
1-[(4-ethylphenyl)methyl]-4-methylpiperazine has a molecular weight of 218.34 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylphenyl)methyl]-4-methylpiperazine is sourced from PubChem (CID 785815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).