2-bromo-4-(4-tert-butylpiperidin-1-yl)benzenecarboximidamide

C16H24BrN3 — CID 107279256

IUPAC2-bromo-4-(4-tert-butylpiperidin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCC(C(C)(C)C)CC2)cc1Br
InChIInChI=1S/C16H24BrN3/c1-16(2,3)11-6-8-20(9-7-11)12-4-5-13(15(18)19)14(17)10-12/h4-5,10-11H,6-9H2,1-3H3,(H3,18,19)
InChIKeyQUAHTRPGXKIULM-UHFFFAOYSA-N
MW338.29 g/mol
LogP4.00
Rot. Bonds2

About 2-bromo-4-(4-tert-butylpiperidin-1-yl)benzenecarboximidamide

2-bromo-4-(4-tert-butylpiperidin-1-yl)benzenecarboximidamide (PubChem CID 107279256) has the molecular formula C16H24BrN3 and a molecular weight of 338.29 g/mol. Its IUPAC name is 2-bromo-4-(4-tert-butylpiperidin-1-yl)benzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-4-(4-tert-butylpiperidin-1-yl)benzenecarboximidamide
PubChem CID107279256
Molecular FormulaC16H24BrN3
Molecular Weight338.29 g/mol
Exact Mass337.12
IUPAC Name2-bromo-4-(4-tert-butylpiperidin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCC(C(C)(C)C)CC2)cc1Br
InChIInChI=1S/C16H24BrN3/c1-16(2,3)11-6-8-20(9-7-11)12-4-5-13(15(18)19)14(17)10-12/h4-5,10-11H,6-9H2,1-3H3,(H3,18,19)
InChIKeyQUAHTRPGXKIULM-UHFFFAOYSA-N
XLogP4.00
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-bromo-4-(4-cyclopropylpiperazin-1-yl)benzenecarboximidamide
CID 107279188
2-bromo-4-(4-tert-butylazepan-1-yl)benzenecarbothioamide
CID 107277858
2-bromo-4-(3-methylpiperidin-1-yl)benzenecarboximidamide
CID 107279080
2-(4-tert-butylpiperidin-1-yl)-4-chlorobenzenecarboximidamide
CID 63094202
2-bromo-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]benzenecarboximidamide
CID 107279407
4-(4-ethylpiperidin-1-yl)-2-methylbenzenecarboximidamide
CID 81279437
2-bromo-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzenecarboximidamide
CID 107279420
2-bromo-4-(3-methylmorpholin-4-yl)benzenecarboximidamide
CID 107279128
4-(4-tert-butylpiperidin-1-yl)benzene-1,2-diamine
CID 106750697
4-(4-tert-butylpiperidin-1-yl)-3,5-difluorobenzenecarboximidamide
CID 81285537
4-(4-tert-butylazepan-1-yl)-2-methylbenzenecarbothioamide
CID 81268147
2-(4-tert-butylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide
CID 107550402

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(4-tert-butylpiperidin-1-yl)benzenecarboximidamide?
The IUPAC name of 2-bromo-4-(4-tert-butylpiperidin-1-yl)benzenecarboximidamide (CID 107279256) is 2-bromo-4-(4-tert-butylpiperidin-1-yl)benzenecarboximidamide.
What is the SMILES notation for 2-bromo-4-(4-tert-butylpiperidin-1-yl)benzenecarboximidamide?
The canonical SMILES for 2-bromo-4-(4-tert-butylpiperidin-1-yl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(N2CCC(C(C)(C)C)CC2)cc1Br.
What is the InChIKey of 2-bromo-4-(4-tert-butylpiperidin-1-yl)benzenecarboximidamide?
The InChIKey is QUAHTRPGXKIULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3/c1-16(2,3)11-6-8-20(9-7-11)12-4-5-13(15(18)19)14(17)10-12/h4-5,10-11H,6-9H2,1-3H3,(H3,18,19).
What are the key properties of 2-bromo-4-(4-tert-butylpiperidin-1-yl)benzenecarboximidamide?
2-bromo-4-(4-tert-butylpiperidin-1-yl)benzenecarboximidamide has a molecular weight of 338.29 g/mol, XLogP of 4.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(4-tert-butylpiperidin-1-yl)benzenecarboximidamide is sourced from PubChem (CID 107279256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).