N'-[4-(4-methylphenoxy)butyl]piperidine-1-carboximidamide

C17H27N3O — CID 111060823

IUPACN'-[4-(4-methylphenoxy)butyl]piperidine-1-carboximidamide
SMILESCc1ccc(OCCCC/N=C(\N)N2CCCCC2)cc1
InChIInChI=1S/C17H27N3O/c1-15-7-9-16(10-8-15)21-14-6-3-11-19-17(18)20-12-4-2-5-13-20/h7-10H,2-6,11-14H2,1H3,(H2,18,19)
InChIKeyPAUHUUZPGGOJFA-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.95
Rot. Bonds6

About N'-[4-(4-methylphenoxy)butyl]piperidine-1-carboximidamide

N'-[4-(4-methylphenoxy)butyl]piperidine-1-carboximidamide (PubChem CID 111060823) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N'-[4-(4-methylphenoxy)butyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[4-(4-methylphenoxy)butyl]piperidine-1-carboximidamide
PubChem CID111060823
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN'-[4-(4-methylphenoxy)butyl]piperidine-1-carboximidamide
SMILESCc1ccc(OCCCC/N=C(\N)N2CCCCC2)cc1
InChIInChI=1S/C17H27N3O/c1-15-7-9-16(10-8-15)21-14-6-3-11-19-17(18)20-12-4-2-5-13-20/h7-10H,2-6,11-14H2,1H3,(H2,18,19)
InChIKeyPAUHUUZPGGOJFA-UHFFFAOYSA-N
XLogP2.95
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.95
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'}

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Related Compounds

N'-[2-(4-methylphenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111026890
N-ethyl-N'-[4-(4-methylphenoxy)butyl]pyrrolidine-1-carboximidamide
CID 110955508
N'-[2-(4-bromophenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111089024
N'-[2-(3-methylphenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111032037
N'-[6-[[amino(azepan-1-yl)methylidene]amino]hexyl]azepane-1-carboximidamide
CID 110062207
N'-[6-[[amino(piperidin-1-yl)methylidene]amino]hexyl]piperidine-1-carboximidamide;hydroiodide
CID 110062182
N'-[[4-(2-methoxyethoxy)phenyl]methyl]piperidine-1-carboximidamide
CID 75511965
N'-[3-(4-methoxyphenoxy)propyl]morpholine-4-carboximidamide;hydroiodide
CID 111079416
N'-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111100994
N'-[(4-methylphenyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111026011
N'-[2-(2-methylphenoxy)ethyl]piperidine-1-carboximidamide
CID 111076365
N'-(3-butoxypropyl)piperidine-1-carboximidamide;hydroiodide
CID 111025862

Frequently Asked Questions

What is the IUPAC name of N'-[4-(4-methylphenoxy)butyl]piperidine-1-carboximidamide?
The IUPAC name of N'-[4-(4-methylphenoxy)butyl]piperidine-1-carboximidamide (CID 111060823) is N'-[4-(4-methylphenoxy)butyl]piperidine-1-carboximidamide.
What is the SMILES notation for N'-[4-(4-methylphenoxy)butyl]piperidine-1-carboximidamide?
The canonical SMILES for N'-[4-(4-methylphenoxy)butyl]piperidine-1-carboximidamide is Cc1ccc(OCCCC/N=C(\N)N2CCCCC2)cc1.
What is the InChIKey of N'-[4-(4-methylphenoxy)butyl]piperidine-1-carboximidamide?
The InChIKey is PAUHUUZPGGOJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-15-7-9-16(10-8-15)21-14-6-3-11-19-17(18)20-12-4-2-5-13-20/h7-10H,2-6,11-14H2,1H3,(H2,18,19).
What are the key properties of N'-[4-(4-methylphenoxy)butyl]piperidine-1-carboximidamide?
N'-[4-(4-methylphenoxy)butyl]piperidine-1-carboximidamide has a molecular weight of 289.42 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(4-methylphenoxy)butyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111060823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).