2-(4-tert-butylpiperidin-1-yl)-4-chlorobenzenecarboximidamide

C16H24ClN3 — CID 63094202

IUPAC2-(4-tert-butylpiperidin-1-yl)-4-chlorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H24ClN3/c1-16(2,3)11-6-8-20(9-7-11)14-10-12(17)4-5-13(14)15(18)19/h4-5,10-11H,6-9H2,1-3H3,(H3,18,19)
InChIKeyQKWXMKFNJVCIIE-UHFFFAOYSA-N
MW293.84 g/mol
LogP3.89
Rot. Bonds2

About 2-(4-tert-butylpiperidin-1-yl)-4-chlorobenzenecarboximidamide

2-(4-tert-butylpiperidin-1-yl)-4-chlorobenzenecarboximidamide (PubChem CID 63094202) has the molecular formula C16H24ClN3 and a molecular weight of 293.84 g/mol. Its IUPAC name is 2-(4-tert-butylpiperidin-1-yl)-4-chlorobenzenecarboximidamide.

Molecular Properties

Compound Name2-(4-tert-butylpiperidin-1-yl)-4-chlorobenzenecarboximidamide
PubChem CID63094202
Molecular FormulaC16H24ClN3
Molecular Weight293.84 g/mol
Exact Mass293.17
IUPAC Name2-(4-tert-butylpiperidin-1-yl)-4-chlorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H24ClN3/c1-16(2,3)11-6-8-20(9-7-11)14-10-12(17)4-5-13(14)15(18)19/h4-5,10-11H,6-9H2,1-3H3,(H3,18,19)
InChIKeyQKWXMKFNJVCIIE-UHFFFAOYSA-N
XLogP3.89
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 53.89
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylpiperidin-1-yl)-4-chlorobenzenecarboximidamide?
The IUPAC name of 2-(4-tert-butylpiperidin-1-yl)-4-chlorobenzenecarboximidamide (CID 63094202) is 2-(4-tert-butylpiperidin-1-yl)-4-chlorobenzenecarboximidamide.
What is the SMILES notation for 2-(4-tert-butylpiperidin-1-yl)-4-chlorobenzenecarboximidamide?
The canonical SMILES for 2-(4-tert-butylpiperidin-1-yl)-4-chlorobenzenecarboximidamide is [H]/N=C(\N)c1ccc(Cl)cc1N1CCC(C(C)(C)C)CC1.
What is the InChIKey of 2-(4-tert-butylpiperidin-1-yl)-4-chlorobenzenecarboximidamide?
The InChIKey is QKWXMKFNJVCIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3/c1-16(2,3)11-6-8-20(9-7-11)14-10-12(17)4-5-13(14)15(18)19/h4-5,10-11H,6-9H2,1-3H3,(H3,18,19).
What are the key properties of 2-(4-tert-butylpiperidin-1-yl)-4-chlorobenzenecarboximidamide?
2-(4-tert-butylpiperidin-1-yl)-4-chlorobenzenecarboximidamide has a molecular weight of 293.84 g/mol, XLogP of 3.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylpiperidin-1-yl)-4-chlorobenzenecarboximidamide is sourced from PubChem (CID 63094202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).