2-[(4-tert-butylpiperazin-1-yl)methyl]aniline

C15H25N3 — CID 61430149

IUPAC2-[(4-tert-butylpiperazin-1-yl)methyl]aniline
SMILESCC(C)(C)N1CCN(Cc2ccccc2N)CC1
InChIInChI=1S/C15H25N3/c1-15(2,3)18-10-8-17(9-11-18)12-13-6-4-5-7-14(13)16/h4-7H,8-12,16H2,1-3H3
InChIKeyUWQGIOQMZUQYIG-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.18
Rot. Bonds2

About 2-[(4-tert-butylpiperazin-1-yl)methyl]aniline

2-[(4-tert-butylpiperazin-1-yl)methyl]aniline (PubChem CID 61430149) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 2-[(4-tert-butylpiperazin-1-yl)methyl]aniline.

Molecular Properties

Compound Name2-[(4-tert-butylpiperazin-1-yl)methyl]aniline
PubChem CID61430149
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name2-[(4-tert-butylpiperazin-1-yl)methyl]aniline
SMILESCC(C)(C)N1CCN(Cc2ccccc2N)CC1
InChIInChI=1S/C15H25N3/c1-15(2,3)18-10-8-17(9-11-18)12-13-6-4-5-7-14(13)16/h4-7H,8-12,16H2,1-3H3
InChIKeyUWQGIOQMZUQYIG-UHFFFAOYSA-N
XLogP2.18
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]aniline
CID 12973962
1-benzyl-4-tert-butylpiperazine
CID 3591937
2-(2-aminophenyl)-1-(4-tert-butylpiperazin-1-yl)ethanone
CID 61428012
1-tert-butyl-4-[(2-chloro-3-pyridinyl)methyl]piperazine
CID 62471632
7-[(4-tert-butylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 114327101
N-(2-aminophenyl)-2-(4-tert-butylpiperazin-1-yl)acetamide
CID 61430147
2-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]aniline
CID 107453436
1-[(2-aminophenyl)methyl]-3-methylpiperidin-4-ol
CID 114677986
4-[(4-tert-butylpiperazin-1-yl)methyl]pyridin-2-amine
CID 62464864
1-[(4-bromo-2-fluorophenyl)methyl]-4-tert-butylpiperazine
CID 61057200
2-[(3-chloropyrrolidin-1-yl)methyl]aniline
CID 130150251
1-tert-butyl-4-(2-phenylethyl)piperazine
CID 21132134

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylpiperazin-1-yl)methyl]aniline?
The IUPAC name of 2-[(4-tert-butylpiperazin-1-yl)methyl]aniline (CID 61430149) is 2-[(4-tert-butylpiperazin-1-yl)methyl]aniline.
What is the SMILES notation for 2-[(4-tert-butylpiperazin-1-yl)methyl]aniline?
The canonical SMILES for 2-[(4-tert-butylpiperazin-1-yl)methyl]aniline is CC(C)(C)N1CCN(Cc2ccccc2N)CC1.
What is the InChIKey of 2-[(4-tert-butylpiperazin-1-yl)methyl]aniline?
The InChIKey is UWQGIOQMZUQYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-15(2,3)18-10-8-17(9-11-18)12-13-6-4-5-7-14(13)16/h4-7H,8-12,16H2,1-3H3.
What are the key properties of 2-[(4-tert-butylpiperazin-1-yl)methyl]aniline?
2-[(4-tert-butylpiperazin-1-yl)methyl]aniline has a molecular weight of 247.39 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylpiperazin-1-yl)methyl]aniline is sourced from PubChem (CID 61430149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).