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

C18H30N2 — CID 64839645

IUPAC1-[(3,4-dimethylphenyl)methyl]-2,2-dimethyl-5-propan-2-ylpiperazine
SMILESCc1ccc(CN2CC(C(C)C)NCC2(C)C)cc1C
InChIInChI=1S/C18H30N2/c1-13(2)17-11-20(18(5,6)12-19-17)10-16-8-7-14(3)15(4)9-16/h7-9,13,17,19H,10-12H2,1-6H3
InChIKeySPWGLQKFVPWVCJ-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.51
Rot. Bonds3

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

1-[(3,4-dimethylphenyl)methyl]-2,2-dimethyl-5-propan-2-ylpiperazine (PubChem CID 64839645) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-[(3,4-dimethylphenyl)methyl]-2,2-dimethyl-5-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[(3,4-dimethylphenyl)methyl]-2,2-dimethyl-5-propan-2-ylpiperazine
PubChem CID64839645
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-[(3,4-dimethylphenyl)methyl]-2,2-dimethyl-5-propan-2-ylpiperazine
SMILESCc1ccc(CN2CC(C(C)C)NCC2(C)C)cc1C
InChIInChI=1S/C18H30N2/c1-13(2)17-11-20(18(5,6)12-19-17)10-16-8-7-14(3)15(4)9-16/h7-9,13,17,19H,10-12H2,1-6H3
InChIKeySPWGLQKFVPWVCJ-UHFFFAOYSA-N
XLogP3.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5R)-1-benzyl-2,2-dimethyl-5-propan-2-ylpiperazine
CID 129371290
2,2-dimethyl-5-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine
CID 64839060
1-[(2-chloro-5-fluorophenyl)methyl]-2,2-dimethyl-5-propan-2-ylpiperazine
CID 102620634
1-[(3-bromo-4-fluorophenyl)methyl]-5-butan-2-yl-2,2-dimethylpiperazine
CID 64847290
1-[(3,4-dichlorophenyl)methyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine
CID 64840035
1-[(3,4-dimethylphenyl)methyl]-5-methyl-2-propan-2-ylpiperazine
CID 64844500
1-[2-(4-methoxyphenyl)ethyl]-2,2-dimethyl-5-propan-2-ylpiperazine
CID 65443258
5-cyclopropyl-1-[(3,4-dimethylphenyl)methyl]-2,2,5-trimethylpiperazine
CID 64876930
1-[(4-chlorophenyl)methyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine
CID 64840421
2-cyclopropyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-propan-2-ylpiperazine
CID 64839080
5-butan-2-yl-2,2-dimethyl-1-(pyridin-4-ylmethyl)piperazine
CID 64848063
1-[(3,4-dimethylphenyl)methyl]-2,2,5-triethylpiperazine
CID 64843731

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethylphenyl)methyl]-2,2-dimethyl-5-propan-2-ylpiperazine?
The IUPAC name of 1-[(3,4-dimethylphenyl)methyl]-2,2-dimethyl-5-propan-2-ylpiperazine (CID 64839645) is 1-[(3,4-dimethylphenyl)methyl]-2,2-dimethyl-5-propan-2-ylpiperazine.
What is the SMILES notation for 1-[(3,4-dimethylphenyl)methyl]-2,2-dimethyl-5-propan-2-ylpiperazine?
The canonical SMILES for 1-[(3,4-dimethylphenyl)methyl]-2,2-dimethyl-5-propan-2-ylpiperazine is Cc1ccc(CN2CC(C(C)C)NCC2(C)C)cc1C.
What is the InChIKey of 1-[(3,4-dimethylphenyl)methyl]-2,2-dimethyl-5-propan-2-ylpiperazine?
The InChIKey is SPWGLQKFVPWVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-13(2)17-11-20(18(5,6)12-19-17)10-16-8-7-14(3)15(4)9-16/h7-9,13,17,19H,10-12H2,1-6H3.
What are the key properties of 1-[(3,4-dimethylphenyl)methyl]-2,2-dimethyl-5-propan-2-ylpiperazine?
1-[(3,4-dimethylphenyl)methyl]-2,2-dimethyl-5-propan-2-ylpiperazine has a molecular weight of 274.45 g/mol, XLogP of 3.51, 3 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]-2,2-dimethyl-5-propan-2-ylpiperazine is sourced from PubChem (CID 64839645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).