N-phenyl-N'-(4-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide;hydroiodide

C20H33IN4 — CID 111059786

IUPACN-phenyl-N'-(4-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide;hydroiodide
SMILESI.c1ccc(N/C(=N/CCCCN2CCCC2)N2CCCCC2)cc1
InChIInChI=1S/C20H32N4.HI/c1-3-11-19(12-4-1)22-20(24-17-6-2-7-18-24)21-13-5-8-14-23-15-9-10-16-23;/h1,3-4,11-12H,2,5-10,13-18H2,(H,21,22);1H
InChIKeyKAAMQWKWNVKMNC-UHFFFAOYSA-N
MW456.42 g/mol
LogP4.43
Rot. Bonds6

About N-phenyl-N'-(4-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide;hydroiodide

N-phenyl-N'-(4-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide;hydroiodide (PubChem CID 111059786) has the molecular formula C20H33IN4 and a molecular weight of 456.42 g/mol. Its IUPAC name is N-phenyl-N'-(4-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-phenyl-N'-(4-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide;hydroiodide
PubChem CID111059786
Molecular FormulaC20H33IN4
Molecular Weight456.42 g/mol
Exact Mass456.17
IUPAC NameN-phenyl-N'-(4-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide;hydroiodide
SMILESI.c1ccc(N/C(=N/CCCCN2CCCC2)N2CCCCC2)cc1
InChIInChI=1S/C20H32N4.HI/c1-3-11-19(12-4-1)22-20(24-17-6-2-7-18-24)21-13-5-8-14-23-15-9-10-16-23;/h1,3-4,11-12H,2,5-10,13-18H2,(H,21,22);1H
InChIKeyKAAMQWKWNVKMNC-UHFFFAOYSA-N
XLogP4.43
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.42
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(4-ethylpiperazin-1-yl)ethyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide
CID 111057213
1-phenyl-2-(4-pyrrolidin-1-ylbutyl)guanidine
CID 110915897
N-[3-[[anilino(piperidin-1-yl)methylidene]amino]propyl]benzamide;hydroiodide
CID 111094094
N'-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-N-phenylpiperidine-1-carboximidamide
CID 119147661
N'-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-N-phenylpiperidine-1-carboximidamide
CID 111806060
N'-[3-(2-hydroxyethoxy)propyl]-N-phenylpiperidine-1-carboximidamide
CID 110018572
N'-[3-(cyclopropylmethoxy)propyl]-N-phenylpiperidine-1-carboximidamide
CID 111035250
N-phenyl-N'-[4-(pyridin-2-ylamino)butyl]piperidine-1-carboximidamide
CID 111097205
N'-[2-(benzenesulfonyl)ethyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide
CID 119119073
N'-benzyl-N-phenylpyrrolidine-1-carboximidamide
CID 12889972
1-amino-3-phenyl-2-(3-pyrrolidin-1-ylpropyl)guanidine
CID 116515102
N-phenyl-N'-(2-pyridin-2-ylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111024708

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N'-(4-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-phenyl-N'-(4-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide;hydroiodide (CID 111059786) is N-phenyl-N'-(4-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-phenyl-N'-(4-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-phenyl-N'-(4-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide;hydroiodide is I.c1ccc(N/C(=N/CCCCN2CCCC2)N2CCCCC2)cc1.
What is the InChIKey of N-phenyl-N'-(4-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide;hydroiodide?
The InChIKey is KAAMQWKWNVKMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4.HI/c1-3-11-19(12-4-1)22-20(24-17-6-2-7-18-24)21-13-5-8-14-23-15-9-10-16-23;/h1,3-4,11-12H,2,5-10,13-18H2,(H,21,22);1H.
What are the key properties of N-phenyl-N'-(4-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide;hydroiodide?
N-phenyl-N'-(4-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide;hydroiodide has a molecular weight of 456.42 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N'-(4-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111059786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).