3-[methyl-(1-methylpiperidin-4-yl)amino]-3-phenylpropanimidamide

C16H26N4 — CID 62779255

IUPAC3-[methyl-(1-methylpiperidin-4-yl)amino]-3-phenylpropanimidamide
SMILES[H]/N=C(\N)CC(c1ccccc1)N(C)C1CCN(C)CC1
InChIInChI=1S/C16H26N4/c1-19-10-8-14(9-11-19)20(2)15(12-16(17)18)13-6-4-3-5-7-13/h3-7,14-15H,8-12H2,1-2H3,(H3,17,18)
InChIKeyQLCHRXKXHKXBAF-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.08
Rot. Bonds5

About 3-[methyl-(1-methylpiperidin-4-yl)amino]-3-phenylpropanimidamide

3-[methyl-(1-methylpiperidin-4-yl)amino]-3-phenylpropanimidamide (PubChem CID 62779255) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-[methyl-(1-methylpiperidin-4-yl)amino]-3-phenylpropanimidamide.

Molecular Properties

Compound Name3-[methyl-(1-methylpiperidin-4-yl)amino]-3-phenylpropanimidamide
PubChem CID62779255
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name3-[methyl-(1-methylpiperidin-4-yl)amino]-3-phenylpropanimidamide
SMILES[H]/N=C(\N)CC(c1ccccc1)N(C)C1CCN(C)CC1
InChIInChI=1S/C16H26N4/c1-19-10-8-14(9-11-19)20(2)15(12-16(17)18)13-6-4-3-5-7-13/h3-7,14-15H,8-12H2,1-2H3,(H3,17,18)
InChIKeyQLCHRXKXHKXBAF-UHFFFAOYSA-N
XLogP2.08
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

3-(4-methylpiperazin-1-yl)-3-phenylpropanimidamide
CID 55117254
3-[cyclopropylmethyl(propan-2-yl)amino]-3-phenylpropanimidamide
CID 62778447
3-[cyclopentyl(methyl)amino]-3-phenylpropanethioamide
CID 62779621
3-[cyclopentyl(2-hydroxyethyl)amino]-3-phenylpropanimidamide
CID 62779762
3-[cyclohexyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide
CID 76949207
3-[2-methylpropyl(propan-2-yl)amino]-3-phenylpropanimidamide
CID 55117825
3-[methyl-[(2-methylphenyl)methyl]amino]-3-phenylpropanimidamide
CID 62778596
(1R)-N'-methyl-N'-(1-methylpiperidin-4-yl)-1-phenylethane-1,2-diamine
CID 30113844
2-[1-[methyl-(1-methylpiperidin-4-yl)amino]propyl]phenol
CID 82975221
N-methyl-N-(1-methylpiperidin-3-yl)-1-phenylethane-1,2-diamine
CID 62546739
3-(4-methoxypiperidin-1-yl)-3-phenylpropanimidamide
CID 62780437
3-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-phenylpropanimidamide
CID 62779599

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(1-methylpiperidin-4-yl)amino]-3-phenylpropanimidamide?
The IUPAC name of 3-[methyl-(1-methylpiperidin-4-yl)amino]-3-phenylpropanimidamide (CID 62779255) is 3-[methyl-(1-methylpiperidin-4-yl)amino]-3-phenylpropanimidamide.
What is the SMILES notation for 3-[methyl-(1-methylpiperidin-4-yl)amino]-3-phenylpropanimidamide?
The canonical SMILES for 3-[methyl-(1-methylpiperidin-4-yl)amino]-3-phenylpropanimidamide is [H]/N=C(\N)CC(c1ccccc1)N(C)C1CCN(C)CC1.
What is the InChIKey of 3-[methyl-(1-methylpiperidin-4-yl)amino]-3-phenylpropanimidamide?
The InChIKey is QLCHRXKXHKXBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-19-10-8-14(9-11-19)20(2)15(12-16(17)18)13-6-4-3-5-7-13/h3-7,14-15H,8-12H2,1-2H3,(H3,17,18).
What are the key properties of 3-[methyl-(1-methylpiperidin-4-yl)amino]-3-phenylpropanimidamide?
3-[methyl-(1-methylpiperidin-4-yl)amino]-3-phenylpropanimidamide has a molecular weight of 274.41 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(1-methylpiperidin-4-yl)amino]-3-phenylpropanimidamide is sourced from PubChem (CID 62779255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).