N'-(3-ethylphenyl)-4-phenylpiperidine-1-carboximidamide

C20H25N3 — CID 10447949

IUPACN'-(3-ethylphenyl)-4-phenylpiperidine-1-carboximidamide
SMILESCCc1cccc(/N=C(\N)N2CCC(c3ccccc3)CC2)c1
InChIInChI=1S/C20H25N3/c1-2-16-7-6-10-19(15-16)22-20(21)23-13-11-18(12-14-23)17-8-4-3-5-9-17/h3-10,15,18H,2,11-14H2,1H3,(H2,21,22)
InChIKeyZRTFYWAMYGGGCC-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.07
Rot. Bonds3

About N'-(3-ethylphenyl)-4-phenylpiperidine-1-carboximidamide

N'-(3-ethylphenyl)-4-phenylpiperidine-1-carboximidamide (PubChem CID 10447949) has the molecular formula C20H25N3 and a molecular weight of 307.44 g/mol. Its IUPAC name is N'-(3-ethylphenyl)-4-phenylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-(3-ethylphenyl)-4-phenylpiperidine-1-carboximidamide
PubChem CID10447949
Molecular FormulaC20H25N3
Molecular Weight307.44 g/mol
Exact Mass307.20
IUPAC NameN'-(3-ethylphenyl)-4-phenylpiperidine-1-carboximidamide
SMILESCCc1cccc(/N=C(\N)N2CCC(c3ccccc3)CC2)c1
InChIInChI=1S/C20H25N3/c1-2-16-7-6-10-19(15-16)22-20(21)23-13-11-18(12-14-23)17-8-4-3-5-9-17/h3-10,15,18H,2,11-14H2,1H3,(H2,21,22)
InChIKeyZRTFYWAMYGGGCC-UHFFFAOYSA-N
XLogP4.07
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N'-(3-ethylphenyl)-4-phenylpiperidine-1-carboximidamide?
The IUPAC name of N'-(3-ethylphenyl)-4-phenylpiperidine-1-carboximidamide (CID 10447949) is N'-(3-ethylphenyl)-4-phenylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-(3-ethylphenyl)-4-phenylpiperidine-1-carboximidamide?
The canonical SMILES for N'-(3-ethylphenyl)-4-phenylpiperidine-1-carboximidamide is CCc1cccc(/N=C(\N)N2CCC(c3ccccc3)CC2)c1.
What is the InChIKey of N'-(3-ethylphenyl)-4-phenylpiperidine-1-carboximidamide?
The InChIKey is ZRTFYWAMYGGGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3/c1-2-16-7-6-10-19(15-16)22-20(21)23-13-11-18(12-14-23)17-8-4-3-5-9-17/h3-10,15,18H,2,11-14H2,1H3,(H2,21,22).
What are the key properties of N'-(3-ethylphenyl)-4-phenylpiperidine-1-carboximidamide?
N'-(3-ethylphenyl)-4-phenylpiperidine-1-carboximidamide has a molecular weight of 307.44 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-ethylphenyl)-4-phenylpiperidine-1-carboximidamide is sourced from PubChem (CID 10447949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).