3-tert-butyl-1-[(2,5-dimethylphenyl)methyl]piperazine

C17H28N2 — CID 64834227

IUPAC3-tert-butyl-1-[(2,5-dimethylphenyl)methyl]piperazine
SMILESCc1ccc(C)c(CN2CCNC(C(C)(C)C)C2)c1
InChIInChI=1S/C17H28N2/c1-13-6-7-14(2)15(10-13)11-19-9-8-18-16(12-19)17(3,4)5/h6-7,10,16,18H,8-9,11-12H2,1-5H3
InChIKeyFNVNAQOSBQTBSG-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.12
Rot. Bonds2

About 3-tert-butyl-1-[(2,5-dimethylphenyl)methyl]piperazine

3-tert-butyl-1-[(2,5-dimethylphenyl)methyl]piperazine (PubChem CID 64834227) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 3-tert-butyl-1-[(2,5-dimethylphenyl)methyl]piperazine.

Molecular Properties

Compound Name3-tert-butyl-1-[(2,5-dimethylphenyl)methyl]piperazine
PubChem CID64834227
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name3-tert-butyl-1-[(2,5-dimethylphenyl)methyl]piperazine
SMILESCc1ccc(C)c(CN2CCNC(C(C)(C)C)C2)c1
InChIInChI=1S/C17H28N2/c1-13-6-7-14(2)15(10-13)11-19-9-8-18-16(12-19)17(3,4)5/h6-7,10,16,18H,8-9,11-12H2,1-5H3
InChIKeyFNVNAQOSBQTBSG-UHFFFAOYSA-N
XLogP3.12
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-tert-butyl-1-[(2-chloro-4-methylphenyl)methyl]piperazine
CID 106870295
1-[(2,5-dimethylphenyl)methyl]-3-methyl-1,4-diazepane
CID 64858807
1-[(2,5-dimethylphenyl)methyl]pyrrolidin-3-ol
CID 24904964
1-[(2,5-dimethylphenyl)methyl]-3,5-dimethylpiperazine
CID 63863135
3-tert-butyl-1-[(2-ethylphenyl)methyl]-1,4-diazepane
CID 64948853
(3S)-1-[(5-fluoro-2-methylphenyl)methyl]-3-methylpiperazine
CID 103947576
1-[(2-fluoro-5-methylphenyl)methyl]-3-methylpiperazine
CID 83811097
3-tert-butyl-1-(2,5-dimethylphenyl)-1,4-diazepane
CID 64941132
N-[[1-[(2,5-dimethylphenyl)methyl]piperidin-3-yl]methyl]-2-methylpropan-2-amine
CID 62591476
1-[(2-methoxy-5-methylphenyl)methyl]-3-methylpiperazine;hydrochloride
CID 119924453
3-tert-butyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine
CID 64834620
3-tert-butyl-1-[(3-fluoro-4-methoxyphenyl)methyl]piperazine
CID 64832825

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-[(2,5-dimethylphenyl)methyl]piperazine?
The IUPAC name of 3-tert-butyl-1-[(2,5-dimethylphenyl)methyl]piperazine (CID 64834227) is 3-tert-butyl-1-[(2,5-dimethylphenyl)methyl]piperazine.
What is the SMILES notation for 3-tert-butyl-1-[(2,5-dimethylphenyl)methyl]piperazine?
The canonical SMILES for 3-tert-butyl-1-[(2,5-dimethylphenyl)methyl]piperazine is Cc1ccc(C)c(CN2CCNC(C(C)(C)C)C2)c1.
What is the InChIKey of 3-tert-butyl-1-[(2,5-dimethylphenyl)methyl]piperazine?
The InChIKey is FNVNAQOSBQTBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13-6-7-14(2)15(10-13)11-19-9-8-18-16(12-19)17(3,4)5/h6-7,10,16,18H,8-9,11-12H2,1-5H3.
What are the key properties of 3-tert-butyl-1-[(2,5-dimethylphenyl)methyl]piperazine?
3-tert-butyl-1-[(2,5-dimethylphenyl)methyl]piperazine has a molecular weight of 260.43 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-[(2,5-dimethylphenyl)methyl]piperazine is sourced from PubChem (CID 64834227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).