2-(4-tert-butylpiperazin-1-yl)-4-methoxybenzenecarboximidamide

C16H26N4O — CID 81300125

IUPAC2-(4-tert-butylpiperazin-1-yl)-4-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)cc1N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C16H26N4O/c1-16(2,3)20-9-7-19(8-10-20)14-11-12(21-4)5-6-13(14)15(17)18/h5-6,11H,7-10H2,1-4H3,(H3,17,18)
InChIKeyKWTPBNQFSJWIPE-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.90
Rot. Bonds3

About 2-(4-tert-butylpiperazin-1-yl)-4-methoxybenzenecarboximidamide

2-(4-tert-butylpiperazin-1-yl)-4-methoxybenzenecarboximidamide (PubChem CID 81300125) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(4-tert-butylpiperazin-1-yl)-4-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name2-(4-tert-butylpiperazin-1-yl)-4-methoxybenzenecarboximidamide
PubChem CID81300125
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name2-(4-tert-butylpiperazin-1-yl)-4-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)cc1N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C16H26N4O/c1-16(2,3)20-9-7-19(8-10-20)14-11-12(21-4)5-6-13(14)15(17)18/h5-6,11H,7-10H2,1-4H3,(H3,17,18)
InChIKeyKWTPBNQFSJWIPE-UHFFFAOYSA-N
XLogP1.90
TPSA65.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(4-tert-butylpiperazin-1-yl)-4-chlorobenzenecarboximidamide
CID 63092167
4-methoxy-2-[4-(trifluoromethyl)piperidin-1-yl]benzenecarboximidamide
CID 81299929
4-methoxy-2-[4-(2-methylpropyl)piperazin-1-yl]benzenecarboximidamide
CID 81299546
2-(4,4-diethylpiperidin-1-yl)-4-methoxybenzenecarboximidamide
CID 81299371
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-methoxybenzenecarboximidamide
CID 102726594
4-methoxy-2-(2-methylazepan-1-yl)benzenecarboximidamide
CID 81302848
4-(4-tert-butylpiperazin-1-yl)-3-fluorobenzenecarboximidamide
CID 61433267
2-(4-bromopyrazol-1-yl)-4-methoxybenzenecarboximidamide
CID 81303223
2,4-dimethoxybenzenecarboximidamide
CID 4138242
2-[2-(hydroxymethyl)piperidin-1-yl]-4-methoxybenzenecarboximidamide
CID 81303122
4-methoxy-2-(2-methylimidazol-1-yl)benzenecarboximidamide
CID 81302850
2-[2-(2-hydroxyethyl)piperidin-1-yl]-4-methoxybenzenecarboximidamide
CID 81303118

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylpiperazin-1-yl)-4-methoxybenzenecarboximidamide?
The IUPAC name of 2-(4-tert-butylpiperazin-1-yl)-4-methoxybenzenecarboximidamide (CID 81300125) is 2-(4-tert-butylpiperazin-1-yl)-4-methoxybenzenecarboximidamide.
What is the SMILES notation for 2-(4-tert-butylpiperazin-1-yl)-4-methoxybenzenecarboximidamide?
The canonical SMILES for 2-(4-tert-butylpiperazin-1-yl)-4-methoxybenzenecarboximidamide is [H]/N=C(\N)c1ccc(OC)cc1N1CCN(C(C)(C)C)CC1.
What is the InChIKey of 2-(4-tert-butylpiperazin-1-yl)-4-methoxybenzenecarboximidamide?
The InChIKey is KWTPBNQFSJWIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-16(2,3)20-9-7-19(8-10-20)14-11-12(21-4)5-6-13(14)15(17)18/h5-6,11H,7-10H2,1-4H3,(H3,17,18).
What are the key properties of 2-(4-tert-butylpiperazin-1-yl)-4-methoxybenzenecarboximidamide?
2-(4-tert-butylpiperazin-1-yl)-4-methoxybenzenecarboximidamide has a molecular weight of 290.41 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylpiperazin-1-yl)-4-methoxybenzenecarboximidamide is sourced from PubChem (CID 81300125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).