N-phenyl-N'-(2-pyridin-2-ylethyl)piperidine-1-carboximidamide;hydroiodide

C19H25IN4 — CID 111024708

IUPACN-phenyl-N'-(2-pyridin-2-ylethyl)piperidine-1-carboximidamide;hydroiodide
SMILESI.c1ccc(N/C(=N/CCc2ccccn2)N2CCCCC2)cc1
InChIInChI=1S/C19H24N4.HI/c1-3-10-18(11-4-1)22-19(23-15-7-2-8-16-23)21-14-12-17-9-5-6-13-20-17;/h1,3-6,9-11,13H,2,7-8,12,14-16H2,(H,21,22);1H
InChIKeyKQHRPNGEYQCQST-UHFFFAOYSA-N
MW436.34 g/mol
LogP4.20
Rot. Bonds4

About N-phenyl-N'-(2-pyridin-2-ylethyl)piperidine-1-carboximidamide;hydroiodide

N-phenyl-N'-(2-pyridin-2-ylethyl)piperidine-1-carboximidamide;hydroiodide (PubChem CID 111024708) has the molecular formula C19H25IN4 and a molecular weight of 436.34 g/mol. Its IUPAC name is N-phenyl-N'-(2-pyridin-2-ylethyl)piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-phenyl-N'-(2-pyridin-2-ylethyl)piperidine-1-carboximidamide;hydroiodide
PubChem CID111024708
Molecular FormulaC19H25IN4
Molecular Weight436.34 g/mol
Exact Mass436.11
IUPAC NameN-phenyl-N'-(2-pyridin-2-ylethyl)piperidine-1-carboximidamide;hydroiodide
SMILESI.c1ccc(N/C(=N/CCc2ccccn2)N2CCCCC2)cc1
InChIInChI=1S/C19H24N4.HI/c1-3-10-18(11-4-1)22-19(23-15-7-2-8-16-23)21-14-12-17-9-5-6-13-20-17;/h1,3-6,9-11,13H,2,7-8,12,14-16H2,(H,21,22);1H
InChIKeyKQHRPNGEYQCQST-UHFFFAOYSA-N
XLogP4.20
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.34
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N-phenylpiperidine-1-carboximidamide;hydroiodide
CID 111040187
N-phenyl-N'-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111812637
N-phenyl-N'-[4-(pyridin-2-ylamino)butyl]piperidine-1-carboximidamide
CID 111097205
N'-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-N-phenylpiperidine-1-carboximidamide
CID 111041325
N-phenyl-N'-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]piperidine-1-carboximidamide
CID 119119157
N'-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-N-phenylpiperidine-1-carboximidamide
CID 111817264
N-phenyl-N'-(pyridazin-3-ylmethyl)piperidine-1-carboximidamide
CID 120580522
N-phenyl-N'-(4-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide;hydroiodide
CID 111059786
1-phenyl-2-(2-pyridin-2-ylethyl)guanidine
CID 62363835
N'-[2-(4-ethylpiperazin-1-yl)ethyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide
CID 111057213
N'-[2-(benzenesulfonyl)ethyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide
CID 119119073
N-phenyl-N'-(1,3-thiazol-2-ylmethyl)piperidine-1-carboximidamide
CID 119119501

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N'-(2-pyridin-2-ylethyl)piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-phenyl-N'-(2-pyridin-2-ylethyl)piperidine-1-carboximidamide;hydroiodide (CID 111024708) is N-phenyl-N'-(2-pyridin-2-ylethyl)piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-phenyl-N'-(2-pyridin-2-ylethyl)piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-phenyl-N'-(2-pyridin-2-ylethyl)piperidine-1-carboximidamide;hydroiodide is I.c1ccc(N/C(=N/CCc2ccccn2)N2CCCCC2)cc1.
What is the InChIKey of N-phenyl-N'-(2-pyridin-2-ylethyl)piperidine-1-carboximidamide;hydroiodide?
The InChIKey is KQHRPNGEYQCQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4.HI/c1-3-10-18(11-4-1)22-19(23-15-7-2-8-16-23)21-14-12-17-9-5-6-13-20-17;/h1,3-6,9-11,13H,2,7-8,12,14-16H2,(H,21,22);1H.
What are the key properties of N-phenyl-N'-(2-pyridin-2-ylethyl)piperidine-1-carboximidamide;hydroiodide?
N-phenyl-N'-(2-pyridin-2-ylethyl)piperidine-1-carboximidamide;hydroiodide has a molecular weight of 436.34 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N'-(2-pyridin-2-ylethyl)piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111024708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).