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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Related Compounds

5-(pyrrolidin-3-ylmethyl)-1H-indole
CID 82607721
N-(piperidin-4-ylmethyl)-1H-indole-5-carboxamide
CID 63747736
5-benzyldiazepane
CID 154443129
[(2S,3R)-2-benzyl-3-hydroxypyrrolidin-1-yl]-(1H-indol-5-yl)methanone
CID 97470101
4-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]benzenecarboximidamide
CID 158136961
[(2R)-2-benzylpyrrolidin-2-yl]-(1H-indol-5-yl)methanone
CID 59744730
(3-benzylpyrrolidin-3-yl)-(1H-indol-5-yl)methanone;hydrochloride
CID 66688221
N-benzyl-2-(4-carbamimidoylanilino)-2-[4-(1H-indol-5-ylmethoxy)-3-methoxyphenyl]acetamide
CID 23283262
N-phenyl-N-piperidin-4-yl-1H-indol-5-amine
CID 45267621
4-oxo-4-[4-(piperidin-4-ylmethyl)phenyl]butanamide
CID 139989119
2-(3-carbamimidoylphenyl)-1H-indole-5-carboximidamide
CID 3010563
3-[3-[[4-piperidin-4-yloxy-3-(trifluoromethyl)anilino]methyl]phenyl]benzenecarboximidamide
CID 18318152

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).