2-[2-(1-benzylpiperidin-4-yl)ethyl]-1-phenylguanidine

C21H28N4 — CID 10246417

IUPAC2-[2-(1-benzylpiperidin-4-yl)ethyl]-1-phenylguanidine
SMILESN/C(=N\CCC1CCN(Cc2ccccc2)CC1)Nc1ccccc1
InChIInChI=1S/C21H28N4/c22-21(24-20-9-5-2-6-10-20)23-14-11-18-12-15-25(16-13-18)17-19-7-3-1-4-8-19/h1-10,18H,11-17H2,(H3,22,23,24)
InChIKeyMSLKVFBRCUTEGR-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.72
Rot. Bonds6

About 2-[2-(1-benzylpiperidin-4-yl)ethyl]-1-phenylguanidine

2-[2-(1-benzylpiperidin-4-yl)ethyl]-1-phenylguanidine (PubChem CID 10246417) has the molecular formula C21H28N4 and a molecular weight of 336.48 g/mol. Its IUPAC name is 2-[2-(1-benzylpiperidin-4-yl)ethyl]-1-phenylguanidine.

Molecular Properties

Compound Name2-[2-(1-benzylpiperidin-4-yl)ethyl]-1-phenylguanidine
PubChem CID10246417
Molecular FormulaC21H28N4
Molecular Weight336.48 g/mol
Exact Mass336.23
IUPAC Name2-[2-(1-benzylpiperidin-4-yl)ethyl]-1-phenylguanidine
SMILESN/C(=N\CCC1CCN(Cc2ccccc2)CC1)Nc1ccccc1
InChIInChI=1S/C21H28N4/c22-21(24-20-9-5-2-6-10-20)23-14-11-18-12-15-25(16-13-18)17-19-7-3-1-4-8-19/h1-10,18H,11-17H2,(H3,22,23,24)
InChIKeyMSLKVFBRCUTEGR-UHFFFAOYSA-N
XLogP3.72
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-[2-(1-benzylpiperidin-4-yl)ethyl]-1-phenylguanidine?
The IUPAC name of 2-[2-(1-benzylpiperidin-4-yl)ethyl]-1-phenylguanidine (CID 10246417) is 2-[2-(1-benzylpiperidin-4-yl)ethyl]-1-phenylguanidine.
What is the SMILES notation for 2-[2-(1-benzylpiperidin-4-yl)ethyl]-1-phenylguanidine?
The canonical SMILES for 2-[2-(1-benzylpiperidin-4-yl)ethyl]-1-phenylguanidine is N/C(=N\CCC1CCN(Cc2ccccc2)CC1)Nc1ccccc1.
What is the InChIKey of 2-[2-(1-benzylpiperidin-4-yl)ethyl]-1-phenylguanidine?
The InChIKey is MSLKVFBRCUTEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4/c22-21(24-20-9-5-2-6-10-20)23-14-11-18-12-15-25(16-13-18)17-19-7-3-1-4-8-19/h1-10,18H,11-17H2,(H3,22,23,24).
What are the key properties of 2-[2-(1-benzylpiperidin-4-yl)ethyl]-1-phenylguanidine?
2-[2-(1-benzylpiperidin-4-yl)ethyl]-1-phenylguanidine has a molecular weight of 336.48 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-benzylpiperidin-4-yl)ethyl]-1-phenylguanidine is sourced from PubChem (CID 10246417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).