1-[(3,4-dimethylphenyl)methyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine

C19H32N2 — CID 64847914

IUPAC1-[(3,4-dimethylphenyl)methyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine
SMILESCCC1(C)CN(Cc2ccc(C)c(C)c2)C(C(C)C)CN1
InChIInChI=1S/C19H32N2/c1-7-19(6)13-21(18(11-20-19)14(2)3)12-17-9-8-15(4)16(5)10-17/h8-10,14,18,20H,7,11-13H2,1-6H3
InChIKeyYQSRGLIPCWCMGE-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.90
Rot. Bonds4

About 1-[(3,4-dimethylphenyl)methyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine

1-[(3,4-dimethylphenyl)methyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine (PubChem CID 64847914) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-[(3,4-dimethylphenyl)methyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[(3,4-dimethylphenyl)methyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine
PubChem CID64847914
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name1-[(3,4-dimethylphenyl)methyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine
SMILESCCC1(C)CN(Cc2ccc(C)c(C)c2)C(C(C)C)CN1
InChIInChI=1S/C19H32N2/c1-7-19(6)13-21(18(11-20-19)14(2)3)12-17-9-8-15(4)16(5)10-17/h8-10,14,18,20H,7,11-13H2,1-6H3
InChIKeyYQSRGLIPCWCMGE-UHFFFAOYSA-N
XLogP3.90
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-bromophenyl)methyl]-2-butan-2-yl-5-ethyl-5-methylpiperazine
CID 64847926
1-[(3,4-dimethylphenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine
CID 64842124
5-ethyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]-2-propan-2-ylpiperazine
CID 82872161
1-[(3,4-dimethylphenyl)methyl]-5-methyl-2-propan-2-ylpiperazine
CID 64844500
5-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]-2-propan-2-ylpiperazine
CID 107055837
1-[(3-chloro-2-fluorophenyl)methyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 102862613
1-[(3,4-dimethylphenyl)methyl]-5,5-diethyl-2-methylpiperazine
CID 64861187
1-(5-bromo-2-methylphenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 64933605
4-[(5-ethyl-5-methyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 64940443
5-cyclopropyl-5-methyl-1-[(3-methylphenyl)methyl]-2-propan-2-ylpiperazine
CID 64876545
1-(cyclohexylmethyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 64848291
5-ethyl-5-methyl-1-(2-phenoxyethyl)-2-propan-2-ylpiperazine
CID 64847525

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethylphenyl)methyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-[(3,4-dimethylphenyl)methyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine (CID 64847914) is 1-[(3,4-dimethylphenyl)methyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-[(3,4-dimethylphenyl)methyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-[(3,4-dimethylphenyl)methyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine is CCC1(C)CN(Cc2ccc(C)c(C)c2)C(C(C)C)CN1.
What is the InChIKey of 1-[(3,4-dimethylphenyl)methyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine?
The InChIKey is YQSRGLIPCWCMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-7-19(6)13-21(18(11-20-19)14(2)3)12-17-9-8-15(4)16(5)10-17/h8-10,14,18,20H,7,11-13H2,1-6H3.
What are the key properties of 1-[(3,4-dimethylphenyl)methyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine?
1-[(3,4-dimethylphenyl)methyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine has a molecular weight of 288.48 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethylphenyl)methyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 64847914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).