2-[4-(2-methylpropyl)piperazin-1-yl]pyridine-4-carboximidamide

C14H23N5 — CID 55116927

IUPAC2-[4-(2-methylpropyl)piperazin-1-yl]pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N2CCN(CC(C)C)CC2)c1
InChIInChI=1S/C14H23N5/c1-11(2)10-18-5-7-19(8-6-18)13-9-12(14(15)16)3-4-17-13/h3-4,9,11H,5-8,10H2,1-2H3,(H3,15,16)
InChIKeyHESIHKVKLWPCNZ-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.14
Rot. Bonds4

About 2-[4-(2-methylpropyl)piperazin-1-yl]pyridine-4-carboximidamide

2-[4-(2-methylpropyl)piperazin-1-yl]pyridine-4-carboximidamide (PubChem CID 55116927) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[4-(2-methylpropyl)piperazin-1-yl]pyridine-4-carboximidamide.

Molecular Properties

Compound Name2-[4-(2-methylpropyl)piperazin-1-yl]pyridine-4-carboximidamide
PubChem CID55116927
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name2-[4-(2-methylpropyl)piperazin-1-yl]pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N2CCN(CC(C)C)CC2)c1
InChIInChI=1S/C14H23N5/c1-11(2)10-18-5-7-19(8-6-18)13-9-12(14(15)16)3-4-17-13/h3-4,9,11H,5-8,10H2,1-2H3,(H3,15,16)
InChIKeyHESIHKVKLWPCNZ-UHFFFAOYSA-N
XLogP1.14
TPSA69.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.14
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-propan-2-ylpiperazin-1-yl)pyridine-4-carboximidamide
CID 43585311
2-(4-methyl-1,4-diazepan-1-yl)pyridine-4-carboximidamide
CID 28745079
2-[4-(2-methylpropyl)piperazin-1-yl]pyridin-4-amine
CID 62776997
3-chloro-4-[4-(2-methylpropyl)piperazin-1-yl]benzenecarboximidamide
CID 63089228
[2-[4-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]methanol
CID 55116637
2-(1,4-oxazepan-4-yl)pyridine-4-carboximidamide
CID 62973407
3-[4-(2-methylpropyl)piperazin-1-yl]pyridazine-4-carboximidamide
CID 80513375
2-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]benzenecarboximidamide
CID 81278860
2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pyridine-4-carboximidamide
CID 81464752
2-(4,5-dimethylimidazol-1-yl)pyridine-4-carboximidamide
CID 62352348
4-methoxy-2-[4-(2-methylpropyl)piperazin-1-yl]benzenecarboximidamide
CID 81299546
1-[4-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-2-yl]ethanol
CID 90916352

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropyl)piperazin-1-yl]pyridine-4-carboximidamide?
The IUPAC name of 2-[4-(2-methylpropyl)piperazin-1-yl]pyridine-4-carboximidamide (CID 55116927) is 2-[4-(2-methylpropyl)piperazin-1-yl]pyridine-4-carboximidamide.
What is the SMILES notation for 2-[4-(2-methylpropyl)piperazin-1-yl]pyridine-4-carboximidamide?
The canonical SMILES for 2-[4-(2-methylpropyl)piperazin-1-yl]pyridine-4-carboximidamide is [H]/N=C(\N)c1ccnc(N2CCN(CC(C)C)CC2)c1.
What is the InChIKey of 2-[4-(2-methylpropyl)piperazin-1-yl]pyridine-4-carboximidamide?
The InChIKey is HESIHKVKLWPCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-11(2)10-18-5-7-19(8-6-18)13-9-12(14(15)16)3-4-17-13/h3-4,9,11H,5-8,10H2,1-2H3,(H3,15,16).
What are the key properties of 2-[4-(2-methylpropyl)piperazin-1-yl]pyridine-4-carboximidamide?
2-[4-(2-methylpropyl)piperazin-1-yl]pyridine-4-carboximidamide has a molecular weight of 261.37 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropyl)piperazin-1-yl]pyridine-4-carboximidamide is sourced from PubChem (CID 55116927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).