4-methyl-N'-[3-(oxan-2-yl)propyl]piperidine-1-carboximidamide

C15H29N3O — CID 110033267

IUPAC4-methyl-N'-[3-(oxan-2-yl)propyl]piperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/CCCC2CCCCO2)CC1
InChIInChI=1S/C15H29N3O/c1-13-7-10-18(11-8-13)15(16)17-9-4-6-14-5-2-3-12-19-14/h13-14H,2-12H2,1H3,(H2,16,17)
InChIKeyRFPCOUYHDIEHTI-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.38
Rot. Bonds4

About 4-methyl-N'-[3-(oxan-2-yl)propyl]piperidine-1-carboximidamide

4-methyl-N'-[3-(oxan-2-yl)propyl]piperidine-1-carboximidamide (PubChem CID 110033267) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 4-methyl-N'-[3-(oxan-2-yl)propyl]piperidine-1-carboximidamide.

Molecular Properties

Compound Name4-methyl-N'-[3-(oxan-2-yl)propyl]piperidine-1-carboximidamide
PubChem CID110033267
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name4-methyl-N'-[3-(oxan-2-yl)propyl]piperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/CCCC2CCCCO2)CC1
InChIInChI=1S/C15H29N3O/c1-13-7-10-18(11-8-13)15(16)17-9-4-6-14-5-2-3-12-19-14/h13-14H,2-12H2,1H3,(H2,16,17)
InChIKeyRFPCOUYHDIEHTI-UHFFFAOYSA-N
XLogP2.38
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.38
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

tert-butyl 4-[N'-[3-(oxan-2-yl)propyl]carbamimidoyl]piperazine-1-carboxylate
CID 110033289
N'-[2-(oxan-2-yl)ethyl]azepane-1-carboximidamide;hydroiodide
CID 110018672
N'-(3-cyclopropylpropyl)-4-methylpiperidine-1-carboximidamide
CID 111435851
N'-[2-(oxan-2-yl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 110018757
4-(4-chlorophenyl)-N'-[3-(oxan-2-yl)propyl]piperazine-1-carboximidamide;hydroiodide
CID 110033350
N'-[2-(oxan-2-yl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 110018690
N'-(3-ethoxypropyl)-4-methylpiperidine-1-carboximidamide
CID 110919499
N'-(5-methoxypentyl)-4-methylpiperidine-1-carboximidamide
CID 110920452
4-methyl-N'-(4-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide
CID 110920130
ethyl 4-[[N'-[3-(oxan-2-yl)propyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 110033296
4-methyl-N'-(4-methylpentyl)piperidine-1-carboximidamide
CID 110919808
4-methyl-N'-(4-methylsulfanylbutyl)piperidine-1-carboximidamide
CID 111435807

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-[3-(oxan-2-yl)propyl]piperidine-1-carboximidamide?
The IUPAC name of 4-methyl-N'-[3-(oxan-2-yl)propyl]piperidine-1-carboximidamide (CID 110033267) is 4-methyl-N'-[3-(oxan-2-yl)propyl]piperidine-1-carboximidamide.
What is the SMILES notation for 4-methyl-N'-[3-(oxan-2-yl)propyl]piperidine-1-carboximidamide?
The canonical SMILES for 4-methyl-N'-[3-(oxan-2-yl)propyl]piperidine-1-carboximidamide is CC1CCN(/C(N)=N/CCCC2CCCCO2)CC1.
What is the InChIKey of 4-methyl-N'-[3-(oxan-2-yl)propyl]piperidine-1-carboximidamide?
The InChIKey is RFPCOUYHDIEHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-13-7-10-18(11-8-13)15(16)17-9-4-6-14-5-2-3-12-19-14/h13-14H,2-12H2,1H3,(H2,16,17).
What are the key properties of 4-methyl-N'-[3-(oxan-2-yl)propyl]piperidine-1-carboximidamide?
4-methyl-N'-[3-(oxan-2-yl)propyl]piperidine-1-carboximidamide has a molecular weight of 267.42 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-[3-(oxan-2-yl)propyl]piperidine-1-carboximidamide is sourced from PubChem (CID 110033267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).