3-methoxy-N'-propan-2-ylpiperidine-1-carboximidamide

C10H21N3O — CID 102963286

IUPAC3-methoxy-N'-propan-2-ylpiperidine-1-carboximidamide
SMILESCOC1CCCN(/C(N)=N/C(C)C)C1
InChIInChI=1S/C10H21N3O/c1-8(2)12-10(11)13-6-4-5-9(7-13)14-3/h8-9H,4-7H2,1-3H3,(H2,11,12)
InChIKeyWSEUNUGEIROVNR-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.82
Rot. Bonds2

About 3-methoxy-N'-propan-2-ylpiperidine-1-carboximidamide

3-methoxy-N'-propan-2-ylpiperidine-1-carboximidamide (PubChem CID 102963286) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 3-methoxy-N'-propan-2-ylpiperidine-1-carboximidamide.

Molecular Properties

Compound Name3-methoxy-N'-propan-2-ylpiperidine-1-carboximidamide
PubChem CID102963286
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name3-methoxy-N'-propan-2-ylpiperidine-1-carboximidamide
SMILESCOC1CCCN(/C(N)=N/C(C)C)C1
InChIInChI=1S/C10H21N3O/c1-8(2)12-10(11)13-6-4-5-9(7-13)14-3/h8-9H,4-7H2,1-3H3,(H2,11,12)
InChIKeyWSEUNUGEIROVNR-UHFFFAOYSA-N
XLogP0.82
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-Methoxypiperidine-1-carboximidamide
CID 19089238
N',2,6-trimethylmorpholine-4-carboximidamide
CID 62358592
4-methoxy-N'-methylpiperidine-1-carboximidamide
CID 62360256
2-Cyclopentyl-1-methyl-1-(oxan-2-ylmethyl)guanidine
CID 55063680
N'-tert-butyl-3-propoxypiperidine-1-carboximidamide
CID 55063809
N'-cyclopentyl-3-propoxypiperidine-1-carboximidamide
CID 55063963
N'-cyclohexyl-3-ethoxypiperidine-1-carboximidamide
CID 55064006
N'-cyclohexyl-2,2,6-trimethylmorpholine-4-carboximidamide
CID 55064347
5-Ethyl-2-methylmorpholine-4-carboximidamide
CID 61424292
3-Propoxypiperidine-1-carboximidamide
CID 61573275
3-Ethoxypiperidine-1-carboximidamide
CID 61573303
5-ethyl-N',2-dimethylmorpholine-4-carboximidamide
CID 62359519

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N'-propan-2-ylpiperidine-1-carboximidamide?
The IUPAC name of 3-methoxy-N'-propan-2-ylpiperidine-1-carboximidamide (CID 102963286) is 3-methoxy-N'-propan-2-ylpiperidine-1-carboximidamide.
What is the SMILES notation for 3-methoxy-N'-propan-2-ylpiperidine-1-carboximidamide?
The canonical SMILES for 3-methoxy-N'-propan-2-ylpiperidine-1-carboximidamide is COC1CCCN(/C(N)=N/C(C)C)C1.
What is the InChIKey of 3-methoxy-N'-propan-2-ylpiperidine-1-carboximidamide?
The InChIKey is WSEUNUGEIROVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-8(2)12-10(11)13-6-4-5-9(7-13)14-3/h8-9H,4-7H2,1-3H3,(H2,11,12).
What are the key properties of 3-methoxy-N'-propan-2-ylpiperidine-1-carboximidamide?
3-methoxy-N'-propan-2-ylpiperidine-1-carboximidamide has a molecular weight of 199.30 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N'-propan-2-ylpiperidine-1-carboximidamide is sourced from PubChem (CID 102963286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).