4-bromo-2-(4-propan-2-ylpiperidin-1-yl)benzenecarboximidamide

C15H22BrN3 — CID 103496258

IUPAC4-bromo-2-(4-propan-2-ylpiperidin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Br)cc1N1CCC(C(C)C)CC1
InChIInChI=1S/C15H22BrN3/c1-10(2)11-5-7-19(8-6-11)14-9-12(16)3-4-13(14)15(17)18/h3-4,9-11H,5-8H2,1-2H3,(H3,17,18)
InChIKeyKOEDQFDDGPNMLE-UHFFFAOYSA-N
MW324.27 g/mol
LogP3.61
Rot. Bonds3

About 4-bromo-2-(4-propan-2-ylpiperidin-1-yl)benzenecarboximidamide

4-bromo-2-(4-propan-2-ylpiperidin-1-yl)benzenecarboximidamide (PubChem CID 103496258) has the molecular formula C15H22BrN3 and a molecular weight of 324.27 g/mol. Its IUPAC name is 4-bromo-2-(4-propan-2-ylpiperidin-1-yl)benzenecarboximidamide.

Molecular Properties

Compound Name4-bromo-2-(4-propan-2-ylpiperidin-1-yl)benzenecarboximidamide
PubChem CID103496258
Molecular FormulaC15H22BrN3
Molecular Weight324.27 g/mol
Exact Mass323.10
IUPAC Name4-bromo-2-(4-propan-2-ylpiperidin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Br)cc1N1CCC(C(C)C)CC1
InChIInChI=1S/C15H22BrN3/c1-10(2)11-5-7-19(8-6-11)14-9-12(16)3-4-13(14)15(17)18/h3-4,9-11H,5-8H2,1-2H3,(H3,17,18)
InChIKeyKOEDQFDDGPNMLE-UHFFFAOYSA-N
XLogP3.61
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.27
LogP ≤ 53.61
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

4-methyl-2-(4-propan-2-ylpiperidin-1-yl)benzenecarboximidamide
CID 103496232
4-bromo-2-(4-cyclopropylpiperazin-1-yl)benzenecarboximidamide
CID 114904485
4-bromo-2-(4-propan-2-ylazepan-1-yl)benzenecarbothioamide
CID 114903271
4-bromo-2-piperidin-1-ylbenzenecarboximidamide
CID 114904395
5-methyl-2-(4-propan-2-ylpiperidin-1-yl)benzenecarboximidamide
CID 107930632
2-(8-azaspiro[4.5]decan-8-yl)-4-bromobenzenecarboximidamide
CID 114904588
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-bromobenzenecarboximidamide
CID 114904670
4-bromo-2-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide
CID 114904376
4-bromo-2-(2-methylpyrrolidin-1-yl)benzenecarboximidamide
CID 114904446
4-bromo-2-(7,7-dimethyl-1,4-thiazepan-4-yl)benzenecarboximidamide
CID 107455465
4-chloro-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenecarboximidamide
CID 112625770
5-bromo-2-[4-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide
CID 114892852

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(4-propan-2-ylpiperidin-1-yl)benzenecarboximidamide?
The IUPAC name of 4-bromo-2-(4-propan-2-ylpiperidin-1-yl)benzenecarboximidamide (CID 103496258) is 4-bromo-2-(4-propan-2-ylpiperidin-1-yl)benzenecarboximidamide.
What is the SMILES notation for 4-bromo-2-(4-propan-2-ylpiperidin-1-yl)benzenecarboximidamide?
The canonical SMILES for 4-bromo-2-(4-propan-2-ylpiperidin-1-yl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(Br)cc1N1CCC(C(C)C)CC1.
What is the InChIKey of 4-bromo-2-(4-propan-2-ylpiperidin-1-yl)benzenecarboximidamide?
The InChIKey is KOEDQFDDGPNMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3/c1-10(2)11-5-7-19(8-6-11)14-9-12(16)3-4-13(14)15(17)18/h3-4,9-11H,5-8H2,1-2H3,(H3,17,18).
What are the key properties of 4-bromo-2-(4-propan-2-ylpiperidin-1-yl)benzenecarboximidamide?
4-bromo-2-(4-propan-2-ylpiperidin-1-yl)benzenecarboximidamide has a molecular weight of 324.27 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(4-propan-2-ylpiperidin-1-yl)benzenecarboximidamide is sourced from PubChem (CID 103496258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).