4-benzylpiperidine;1H-indole-5-carboximidamide

C21H26N4 — CID 160594463

IUPAC4-benzylpiperidine;1H-indole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2[nH]ccc2c1.c1ccc(CC2CCNCC2)cc1
InChIInChI=1S/C12H17N.C9H9N3/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12;10-9(11)7-1-2-8-6(5-7)3-4-12-8/h1-5,12-13H,6-10H2;1-5,12H,(H3,10,11)
InChIKeyRDLHTSAVARHGGJ-UHFFFAOYSA-N
MW334.47 g/mol
LogP3.68
Rot. Bonds3

About 4-benzylpiperidine;1H-indole-5-carboximidamide

4-benzylpiperidine;1H-indole-5-carboximidamide (PubChem CID 160594463) has the molecular formula C21H26N4 and a molecular weight of 334.47 g/mol. Its IUPAC name is 4-benzylpiperidine;1H-indole-5-carboximidamide.

Molecular Properties

Compound Name4-benzylpiperidine;1H-indole-5-carboximidamide
PubChem CID160594463
Molecular FormulaC21H26N4
Molecular Weight334.47 g/mol
Exact Mass334.22
IUPAC Name4-benzylpiperidine;1H-indole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2[nH]ccc2c1.c1ccc(CC2CCNCC2)cc1
InChIInChI=1S/C12H17N.C9H9N3/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12;10-9(11)7-1-2-8-6(5-7)3-4-12-8/h1-5,12-13H,6-10H2;1-5,12H,(H3,10,11)
InChIKeyRDLHTSAVARHGGJ-UHFFFAOYSA-N
XLogP3.68
TPSA77.69 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 53.68
H-Bond Donors ≤ 54
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 4-benzylpiperidine;1H-indole-5-carboximidamide?
The IUPAC name of 4-benzylpiperidine;1H-indole-5-carboximidamide (CID 160594463) is 4-benzylpiperidine;1H-indole-5-carboximidamide.
What is the SMILES notation for 4-benzylpiperidine;1H-indole-5-carboximidamide?
The canonical SMILES for 4-benzylpiperidine;1H-indole-5-carboximidamide is [H]/N=C(\N)c1ccc2[nH]ccc2c1.c1ccc(CC2CCNCC2)cc1.
What is the InChIKey of 4-benzylpiperidine;1H-indole-5-carboximidamide?
The InChIKey is RDLHTSAVARHGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.C9H9N3/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12;10-9(11)7-1-2-8-6(5-7)3-4-12-8/h1-5,12-13H,6-10H2;1-5,12H,(H3,10,11).
What are the key properties of 4-benzylpiperidine;1H-indole-5-carboximidamide?
4-benzylpiperidine;1H-indole-5-carboximidamide has a molecular weight of 334.47 g/mol, XLogP of 3.68, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylpiperidine;1H-indole-5-carboximidamide is sourced from PubChem (CID 160594463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).