N'-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide

C18H31IN4O — CID 111100994

IUPACN'-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
SMILESCN(C)CCCOc1ccc(C/N=C(\N)N2CCCCC2)cc1.I
InChIInChI=1S/C18H30N4O.HI/c1-21(2)11-6-14-23-17-9-7-16(8-10-17)15-20-18(19)22-12-4-3-5-13-22;/h7-10H,3-6,11-15H2,1-2H3,(H2,19,20);1H
InChIKeyIONVFFALZMRYID-UHFFFAOYSA-N
MW446.38 g/mol
LogP2.94
Rot. Bonds7

About N'-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide

N'-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111100994) has the molecular formula C18H31IN4O and a molecular weight of 446.38 g/mol. Its IUPAC name is N'-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID111100994
Molecular FormulaC18H31IN4O
Molecular Weight446.38 g/mol
Exact Mass446.15
IUPAC NameN'-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
SMILESCN(C)CCCOc1ccc(C/N=C(\N)N2CCCCC2)cc1.I
InChIInChI=1S/C18H30N4O.HI/c1-21(2)11-6-14-23-17-9-7-16(8-10-17)15-20-18(19)22-12-4-3-5-13-22;/h7-10H,3-6,11-15H2,1-2H3,(H2,19,20);1H
InChIKeyIONVFFALZMRYID-UHFFFAOYSA-N
XLogP2.94
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.38
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'-[[4-(2-methoxyethoxy)phenyl]methyl]piperidine-1-carboximidamide
CID 75511965
N'-[(3-butoxyphenyl)methyl]piperidine-1-carboximidamide
CID 111049546
N'-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111084050
N'-[(4-methylphenyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111026011
2-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]-1,1-diethylguanidine
CID 111100929
1-(cyclobutylmethyl)-2-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]guanidine
CID 111100969
N'-[2-(4-methylphenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111026890
N'-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111047873
N'-[4-(4-methylphenoxy)butyl]piperidine-1-carboximidamide
CID 111060823
N'-[3-(dimethylamino)propyl]piperidine-1-carboximidamide
CID 111023941
2-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]-1-(3-methylbutyl)guanidine;hydroiodide
CID 111100906
N'-[2-(4-bromophenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111089024

Frequently Asked Questions

What is the IUPAC name of N'-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide (CID 111100994) is N'-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide is CN(C)CCCOc1ccc(C/N=C(\N)N2CCCCC2)cc1.I.
What is the InChIKey of N'-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is IONVFFALZMRYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O.HI/c1-21(2)11-6-14-23-17-9-7-16(8-10-17)15-20-18(19)22-12-4-3-5-13-22;/h7-10H,3-6,11-15H2,1-2H3,(H2,19,20);1H.
What are the key properties of N'-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide?
N'-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 446.38 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111100994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).