4-methyl-N'-(3-phenoxypropyl)piperidine-1-carboximidamide;hydroiodide

C16H26IN3O — CID 110919520

IUPAC4-methyl-N'-(3-phenoxypropyl)piperidine-1-carboximidamide;hydroiodide
SMILESCC1CCN(/C(N)=N/CCCOc2ccccc2)CC1.I
InChIInChI=1S/C16H25N3O.HI/c1-14-8-11-19(12-9-14)16(17)18-10-5-13-20-15-6-3-2-4-7-15;/h2-4,6-7,14H,5,8-13H2,1H3,(H2,17,18);1H
InChIKeyQDQOJKABVZJTQP-UHFFFAOYSA-N
MW403.31 g/mol
LogP3.12
Rot. Bonds5

About 4-methyl-N'-(3-phenoxypropyl)piperidine-1-carboximidamide;hydroiodide

4-methyl-N'-(3-phenoxypropyl)piperidine-1-carboximidamide;hydroiodide (PubChem CID 110919520) has the molecular formula C16H26IN3O and a molecular weight of 403.31 g/mol. Its IUPAC name is 4-methyl-N'-(3-phenoxypropyl)piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-methyl-N'-(3-phenoxypropyl)piperidine-1-carboximidamide;hydroiodide
PubChem CID110919520
Molecular FormulaC16H26IN3O
Molecular Weight403.31 g/mol
Exact Mass403.11
IUPAC Name4-methyl-N'-(3-phenoxypropyl)piperidine-1-carboximidamide;hydroiodide
SMILESCC1CCN(/C(N)=N/CCCOc2ccccc2)CC1.I
InChIInChI=1S/C16H25N3O.HI/c1-14-8-11-19(12-9-14)16(17)18-10-5-13-20-15-6-3-2-4-7-15;/h2-4,6-7,14H,5,8-13H2,1H3,(H2,17,18);1H
InChIKeyQDQOJKABVZJTQP-UHFFFAOYSA-N
XLogP3.12
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.31
LogP ≤ 53.12
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

3-methyl-N'-(3-phenoxypropyl)piperidine-1-carboximidamide
CID 111036940
N'-[2-(4-chlorophenoxy)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110920656
N'-[2-(3-chlorophenoxy)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110920552
N'-[3-[(4-methoxyphenyl)methoxy]propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110935415
N'-[3-(benzenesulfonyl)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920487
N'-(3-ethoxypropyl)-4-methylpiperidine-1-carboximidamide
CID 110919499
N'-(2-phenoxyethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111028465
4-methyl-N'-[2-(N-methylanilino)ethyl]piperidine-1-carboximidamide
CID 110919342
4-methyl-N'-[4-(4-phenylpiperazin-1-yl)butyl]piperidine-1-carboximidamide
CID 110921127
4-methyl-N'-[4-(pyridin-2-ylamino)butyl]piperidine-1-carboximidamide;hydroiodide
CID 110928110
N'-(5-methoxypentyl)-4-methylpiperidine-1-carboximidamide
CID 110920452
N'-[2-(4-benzylpiperazin-1-yl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110919171

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-(3-phenoxypropyl)piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-methyl-N'-(3-phenoxypropyl)piperidine-1-carboximidamide;hydroiodide (CID 110919520) is 4-methyl-N'-(3-phenoxypropyl)piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-methyl-N'-(3-phenoxypropyl)piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-methyl-N'-(3-phenoxypropyl)piperidine-1-carboximidamide;hydroiodide is CC1CCN(/C(N)=N/CCCOc2ccccc2)CC1.I.
What is the InChIKey of 4-methyl-N'-(3-phenoxypropyl)piperidine-1-carboximidamide;hydroiodide?
The InChIKey is QDQOJKABVZJTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O.HI/c1-14-8-11-19(12-9-14)16(17)18-10-5-13-20-15-6-3-2-4-7-15;/h2-4,6-7,14H,5,8-13H2,1H3,(H2,17,18);1H.
What are the key properties of 4-methyl-N'-(3-phenoxypropyl)piperidine-1-carboximidamide;hydroiodide?
4-methyl-N'-(3-phenoxypropyl)piperidine-1-carboximidamide;hydroiodide has a molecular weight of 403.31 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-(3-phenoxypropyl)piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110919520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).