2,2-dimethyl-1-[(4-methylphenyl)methyl]piperazine

C14H22N2 — CID 63596118

IUPAC2,2-dimethyl-1-[(4-methylphenyl)methyl]piperazine
SMILESCc1ccc(CN2CCNCC2(C)C)cc1
InChIInChI=1S/C14H22N2/c1-12-4-6-13(7-5-12)10-16-9-8-15-11-14(16,2)3/h4-7,15H,8-11H2,1-3H3
InChIKeyOTPHOWCJXKQTHC-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.18
Rot. Bonds2

About 2,2-dimethyl-1-[(4-methylphenyl)methyl]piperazine

2,2-dimethyl-1-[(4-methylphenyl)methyl]piperazine (PubChem CID 63596118) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2,2-dimethyl-1-[(4-methylphenyl)methyl]piperazine.

Molecular Properties

Compound Name2,2-dimethyl-1-[(4-methylphenyl)methyl]piperazine
PubChem CID63596118
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2,2-dimethyl-1-[(4-methylphenyl)methyl]piperazine
SMILESCc1ccc(CN2CCNCC2(C)C)cc1
InChIInChI=1S/C14H22N2/c1-12-4-6-13(7-5-12)10-16-9-8-15-11-14(16,2)3/h4-7,15H,8-11H2,1-3H3
InChIKeyOTPHOWCJXKQTHC-UHFFFAOYSA-N
XLogP2.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[(4-methylphenyl)methyl]piperazine?
The IUPAC name of 2,2-dimethyl-1-[(4-methylphenyl)methyl]piperazine (CID 63596118) is 2,2-dimethyl-1-[(4-methylphenyl)methyl]piperazine.
What is the SMILES notation for 2,2-dimethyl-1-[(4-methylphenyl)methyl]piperazine?
The canonical SMILES for 2,2-dimethyl-1-[(4-methylphenyl)methyl]piperazine is Cc1ccc(CN2CCNCC2(C)C)cc1.
What is the InChIKey of 2,2-dimethyl-1-[(4-methylphenyl)methyl]piperazine?
The InChIKey is OTPHOWCJXKQTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-12-4-6-13(7-5-12)10-16-9-8-15-11-14(16,2)3/h4-7,15H,8-11H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-[(4-methylphenyl)methyl]piperazine?
2,2-dimethyl-1-[(4-methylphenyl)methyl]piperazine has a molecular weight of 218.34 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[(4-methylphenyl)methyl]piperazine is sourced from PubChem (CID 63596118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).