N'-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide

C17H33N3O2 — CID 111154732

IUPACN'-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide
SMILESCCN/C(=N\CC(O)COCC1CC1)N1CC(C)CC(C)C1
InChIInChI=1S/C17H33N3O2/c1-4-18-17(20-9-13(2)7-14(3)10-20)19-8-16(21)12-22-11-15-5-6-15/h13-16,21H,4-12H2,1-3H3,(H,18,19)
InChIKeyNGBMKMOENMZUPQ-UHFFFAOYSA-N
MW311.47 g/mol
LogP1.72
Rot. Bonds7

About N'-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide

N'-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide (PubChem CID 111154732) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is N'-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide
PubChem CID111154732
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC NameN'-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide
SMILESCCN/C(=N\CC(O)COCC1CC1)N1CC(C)CC(C)C1
InChIInChI=1S/C17H33N3O2/c1-4-18-17(20-9-13(2)7-14(3)10-20)19-8-16(21)12-22-11-15-5-6-15/h13-16,21H,4-12H2,1-3H3,(H,18,19)
InChIKeyNGBMKMOENMZUPQ-UHFFFAOYSA-N
XLogP1.72
TPSA57.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-ethyl-3,5-dimethyl-N'-(2-methylpropyl)piperidine-1-carboximidamide
CID 111154559
N-ethyl-N'-[2-hydroxy-3-(2-methylpropoxy)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111210256
4-[(4-chlorophenyl)methyl]-N'-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-N-ethylpiperazine-1-carboximidamide;hydroiodide
CID 111325621
N'-(cyclopropylmethyl)-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111153504
N'-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-N-ethyl-4-[(3-methylphenyl)methyl]piperazine-1-carboximidamide
CID 111347546
N-ethyl-N'-(3-hydroxy-2-methylpropyl)-3,5-dimethylpiperidine-1-carboximidamide
CID 111153821
N'-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-4-methylpiperidine-1-carboximidamide
CID 110920781
methyl 3-[[(3,5-dimethylpiperidin-1-yl)-(ethylamino)methylidene]amino]-2-methylpropanoate
CID 111153272
2-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-1-ethyl-3-heptan-2-ylguanidine
CID 111195694
N-ethyl-3,5-dimethyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide
CID 111983767
ethyl 4-[[(3,5-dimethylpiperidin-1-yl)-(ethylamino)methylidene]amino]butanoate
CID 111154581
N'-[3-(cyclopropylmethoxy)propyl]-N-ethyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide
CID 109443075

Frequently Asked Questions

What is the IUPAC name of N'-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide?
The IUPAC name of N'-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide (CID 111154732) is N'-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide is CCN/C(=N\CC(O)COCC1CC1)N1CC(C)CC(C)C1.
What is the InChIKey of N'-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide?
The InChIKey is NGBMKMOENMZUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-4-18-17(20-9-13(2)7-14(3)10-20)19-8-16(21)12-22-11-15-5-6-15/h13-16,21H,4-12H2,1-3H3,(H,18,19).
What are the key properties of N'-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide?
N'-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide has a molecular weight of 311.47 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide is sourced from PubChem (CID 111154732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).