3-(4-methoxypiperidin-1-yl)-3-phenylpropanimidamide

C15H23N3O — CID 62780437

IUPAC3-(4-methoxypiperidin-1-yl)-3-phenylpropanimidamide
SMILES[H]/N=C(\N)CC(c1ccccc1)N1CCC(OC)CC1
InChIInChI=1S/C15H23N3O/c1-19-13-7-9-18(10-8-13)14(11-15(16)17)12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3,(H3,16,17)
InChIKeyYISNEKQWJHMGTM-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.16
Rot. Bonds5

About 3-(4-methoxypiperidin-1-yl)-3-phenylpropanimidamide

3-(4-methoxypiperidin-1-yl)-3-phenylpropanimidamide (PubChem CID 62780437) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-(4-methoxypiperidin-1-yl)-3-phenylpropanimidamide.

Molecular Properties

Compound Name3-(4-methoxypiperidin-1-yl)-3-phenylpropanimidamide
PubChem CID62780437
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-(4-methoxypiperidin-1-yl)-3-phenylpropanimidamide
SMILES[H]/N=C(\N)CC(c1ccccc1)N1CCC(OC)CC1
InChIInChI=1S/C15H23N3O/c1-19-13-7-9-18(10-8-13)14(11-15(16)17)12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3,(H3,16,17)
InChIKeyYISNEKQWJHMGTM-UHFFFAOYSA-N
XLogP2.16
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.16
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-phenyl-3-(4-propylpiperazin-1-yl)propanimidamide
CID 62780083
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-phenylpropanimidamide
CID 115560125
3-(3-ethyl-4-methylpiperazin-1-yl)-3-phenylpropanimidamide
CID 63610075
3-(3-methoxypiperidin-1-yl)-3-phenylpropanethioamide
CID 102958108
3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-phenylpropanimidamide
CID 79928343
3-phenyl-3-pyrazol-1-ylpropanimidamide
CID 62778282
N'-hydroxy-3-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylpropanimidamide
CID 76949092
3-[methyl-(1-methylpiperidin-4-yl)amino]-3-phenylpropanimidamide
CID 62779255
2-[3-(difluoromethyl)phenyl]-2-(4-methoxypiperidin-1-yl)ethanamine
CID 115526779
N-[2-(3-methoxypyrrolidin-1-yl)-2-phenylethyl]-2-methylpropan-2-amine
CID 103539682
1-(3-methoxypyrrolidin-1-yl)-1-phenylpropan-2-amine
CID 103530869

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxypiperidin-1-yl)-3-phenylpropanimidamide?
The IUPAC name of 3-(4-methoxypiperidin-1-yl)-3-phenylpropanimidamide (CID 62780437) is 3-(4-methoxypiperidin-1-yl)-3-phenylpropanimidamide.
What is the SMILES notation for 3-(4-methoxypiperidin-1-yl)-3-phenylpropanimidamide?
The canonical SMILES for 3-(4-methoxypiperidin-1-yl)-3-phenylpropanimidamide is [H]/N=C(\N)CC(c1ccccc1)N1CCC(OC)CC1.
What is the InChIKey of 3-(4-methoxypiperidin-1-yl)-3-phenylpropanimidamide?
The InChIKey is YISNEKQWJHMGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-19-13-7-9-18(10-8-13)14(11-15(16)17)12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3,(H3,16,17).
What are the key properties of 3-(4-methoxypiperidin-1-yl)-3-phenylpropanimidamide?
3-(4-methoxypiperidin-1-yl)-3-phenylpropanimidamide has a molecular weight of 261.37 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxypiperidin-1-yl)-3-phenylpropanimidamide is sourced from PubChem (CID 62780437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).