N-ethyl-N'-(3-hydroxy-2-methylpropyl)-3,5-dimethylpiperidine-1-carboximidamide

C14H29N3O — CID 111153821

IUPACN-ethyl-N'-(3-hydroxy-2-methylpropyl)-3,5-dimethylpiperidine-1-carboximidamide
SMILESCCN/C(=N\CC(C)CO)N1CC(C)CC(C)C1
InChIInChI=1S/C14H29N3O/c1-5-15-14(16-7-13(4)10-18)17-8-11(2)6-12(3)9-17/h11-13,18H,5-10H2,1-4H3,(H,15,16)
InChIKeyJIGARWMKSSUXDY-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.56
Rot. Bonds4

About N-ethyl-N'-(3-hydroxy-2-methylpropyl)-3,5-dimethylpiperidine-1-carboximidamide

N-ethyl-N'-(3-hydroxy-2-methylpropyl)-3,5-dimethylpiperidine-1-carboximidamide (PubChem CID 111153821) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is N-ethyl-N'-(3-hydroxy-2-methylpropyl)-3,5-dimethylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-(3-hydroxy-2-methylpropyl)-3,5-dimethylpiperidine-1-carboximidamide
PubChem CID111153821
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC NameN-ethyl-N'-(3-hydroxy-2-methylpropyl)-3,5-dimethylpiperidine-1-carboximidamide
SMILESCCN/C(=N\CC(C)CO)N1CC(C)CC(C)C1
InChIInChI=1S/C14H29N3O/c1-5-15-14(16-7-13(4)10-18)17-8-11(2)6-12(3)9-17/h11-13,18H,5-10H2,1-4H3,(H,15,16)
InChIKeyJIGARWMKSSUXDY-UHFFFAOYSA-N
XLogP1.56
TPSA47.86 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.56
H-Bond Donors ≤ 52
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-ethyl-3,5-dimethyl-N'-(2-methylpropyl)piperidine-1-carboximidamide
CID 111154559
methyl 3-[[(3,5-dimethylpiperidin-1-yl)-(ethylamino)methylidene]amino]-2-methylpropanoate
CID 111153272
N-ethyl-3,5-dimethyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide
CID 111983767
methyl 1-[N-ethyl-N'-(3-hydroxy-2-methylpropyl)carbamimidoyl]piperidine-4-carboxylate
CID 111255337
N'-(cyclopropylmethyl)-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111153504
ethyl 4-[N-ethyl-N'-(3-hydroxy-2-methylpropyl)carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111163644
N'-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide
CID 111154732
3-[[(3,5-dimethylpiperidin-1-yl)-(ethylamino)methylidene]amino]-N-propan-2-ylpropanamide
CID 111154267
4-benzyl-N-ethyl-N'-(3-hydroxy-2-methylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111152689
N-ethyl-N'-(3-hydroxy-2-methylpropyl)-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide;hydroiodide
CID 111346416
N'-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide
CID 111153162
N-ethyl-N'-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide;hydroiodide
CID 109444302

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(3-hydroxy-2-methylpropyl)-3,5-dimethylpiperidine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-(3-hydroxy-2-methylpropyl)-3,5-dimethylpiperidine-1-carboximidamide (CID 111153821) is N-ethyl-N'-(3-hydroxy-2-methylpropyl)-3,5-dimethylpiperidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-(3-hydroxy-2-methylpropyl)-3,5-dimethylpiperidine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-(3-hydroxy-2-methylpropyl)-3,5-dimethylpiperidine-1-carboximidamide is CCN/C(=N\CC(C)CO)N1CC(C)CC(C)C1.
What is the InChIKey of N-ethyl-N'-(3-hydroxy-2-methylpropyl)-3,5-dimethylpiperidine-1-carboximidamide?
The InChIKey is JIGARWMKSSUXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-5-15-14(16-7-13(4)10-18)17-8-11(2)6-12(3)9-17/h11-13,18H,5-10H2,1-4H3,(H,15,16).
What are the key properties of N-ethyl-N'-(3-hydroxy-2-methylpropyl)-3,5-dimethylpiperidine-1-carboximidamide?
N-ethyl-N'-(3-hydroxy-2-methylpropyl)-3,5-dimethylpiperidine-1-carboximidamide has a molecular weight of 255.41 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(3-hydroxy-2-methylpropyl)-3,5-dimethylpiperidine-1-carboximidamide is sourced from PubChem (CID 111153821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).