3-propoxy-N'-propylpiperidine-1-carboximidamide

C12H25N3O — CID 62362576

IUPAC3-propoxy-N'-propylpiperidine-1-carboximidamide
SMILESCCC/N=C(\N)N1CCCC(OCCC)C1
InChIInChI=1S/C12H25N3O/c1-3-7-14-12(13)15-8-5-6-11(10-15)16-9-4-2/h11H,3-10H2,1-2H3,(H2,13,14)
InChIKeyVRFIASUEOIJCHA-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.60
Rot. Bonds5

About 3-propoxy-N'-propylpiperidine-1-carboximidamide

3-propoxy-N'-propylpiperidine-1-carboximidamide (PubChem CID 62362576) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-propoxy-N'-propylpiperidine-1-carboximidamide.

Molecular Properties

Compound Name3-propoxy-N'-propylpiperidine-1-carboximidamide
PubChem CID62362576
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name3-propoxy-N'-propylpiperidine-1-carboximidamide
SMILESCCC/N=C(\N)N1CCCC(OCCC)C1
InChIInChI=1S/C12H25N3O/c1-3-7-14-12(13)15-8-5-6-11(10-15)16-9-4-2/h11H,3-10H2,1-2H3,(H2,13,14)
InChIKeyVRFIASUEOIJCHA-UHFFFAOYSA-N
XLogP1.60
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.60
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

N'-(2-methylpropyl)-3-propoxypiperidine-1-carboximidamide
CID 62362799
2-amino-1-(3-propoxypiperidin-1-yl)butan-1-one
CID 61169570
N'-hydroxy-2-methyl-3-oxo-3-(3-propoxypiperidin-1-yl)propanimidamide
CID 76926875
N'-propylazocane-1-carboximidamide
CID 62361040
4-(3-propoxypiperidine-1-carbonyl)benzenecarbothioamide
CID 47827117
(3,5-diaminophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 61168973
N-ethyl-3-propoxypiperidine-1-carboxamide
CID 115595374
(4-methylpiperidin-1-yl)-(3-propoxypiperidin-1-yl)methanone
CID 116654904
[1-(aminomethyl)cyclopropyl]-(3-propoxypiperidin-1-yl)methanone
CID 80587134
(2-aminocyclopentyl)-(3-propoxypiperidin-1-yl)methanone
CID 64822657
2-amino-4-methoxy-1-(3-propoxypiperidin-1-yl)butan-1-one
CID 62473426
2-methoxy-1-(3-propoxypiperidin-1-yl)propan-1-one
CID 112687423

Frequently Asked Questions

What is the IUPAC name of 3-propoxy-N'-propylpiperidine-1-carboximidamide?
The IUPAC name of 3-propoxy-N'-propylpiperidine-1-carboximidamide (CID 62362576) is 3-propoxy-N'-propylpiperidine-1-carboximidamide.
What is the SMILES notation for 3-propoxy-N'-propylpiperidine-1-carboximidamide?
The canonical SMILES for 3-propoxy-N'-propylpiperidine-1-carboximidamide is CCC/N=C(\N)N1CCCC(OCCC)C1.
What is the InChIKey of 3-propoxy-N'-propylpiperidine-1-carboximidamide?
The InChIKey is VRFIASUEOIJCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-3-7-14-12(13)15-8-5-6-11(10-15)16-9-4-2/h11H,3-10H2,1-2H3,(H2,13,14).
What are the key properties of 3-propoxy-N'-propylpiperidine-1-carboximidamide?
3-propoxy-N'-propylpiperidine-1-carboximidamide has a molecular weight of 227.35 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propoxy-N'-propylpiperidine-1-carboximidamide is sourced from PubChem (CID 62362576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).