4-hydroxy-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N'-methylpiperidine-1-carboximidamide

C15H29N3O2 — CID 119161399

IUPAC4-hydroxy-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N'-methylpiperidine-1-carboximidamide
SMILESC/N=C(/NC1CC(C)(OC)C1(C)C)N1CCC(O)CC1
InChIInChI=1S/C15H29N3O2/c1-14(2)12(10-15(14,3)20-5)17-13(16-4)18-8-6-11(19)7-9-18/h11-12,19H,6-10H2,1-5H3,(H,16,17)
InChIKeyWKCALHQZVYWEPQ-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.22
Rot. Bonds2

About 4-hydroxy-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N'-methylpiperidine-1-carboximidamide

4-hydroxy-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N'-methylpiperidine-1-carboximidamide (PubChem CID 119161399) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-hydroxy-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N'-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound Name4-hydroxy-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N'-methylpiperidine-1-carboximidamide
PubChem CID119161399
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name4-hydroxy-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N'-methylpiperidine-1-carboximidamide
SMILESC/N=C(/NC1CC(C)(OC)C1(C)C)N1CCC(O)CC1
InChIInChI=1S/C15H29N3O2/c1-14(2)12(10-15(14,3)20-5)17-13(16-4)18-8-6-11(19)7-9-18/h11-12,19H,6-10H2,1-5H3,(H,16,17)
InChIKeyWKCALHQZVYWEPQ-UHFFFAOYSA-N
XLogP1.22
TPSA57.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.22
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-(3-methoxy-2,2,3-trimethylcyclobutyl)-N'-methylpyrrolidine-1-carboximidamide
CID 111756780
methyl 1-[N-(2,2-dimethylcyclopropyl)-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 119131056
N-cyclobutyl-4-hydroxy-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 119153414
N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide
CID 109435377
4-imidazol-1-yl-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]piperidine-1-carboxamide
CID 97021838
N-(cyclobutylmethyl)-4-hydroxy-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 75482169
2-[ethyl-[1-[(3-methoxy-2,2,3-trimethylcyclobutyl)carbamoyl]piperidin-4-yl]amino]acetic acid
CID 122004604
2-(dimethylamino)-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]acetamide
CID 99631339
(3S)-N-amino-3-hydroxy-N'-methylpyrrolidine-1-carboximidamide
CID 89196877
N-amino-4-(methoxymethyl)-N'-methylpiperidine-1-carboximidamide
CID 104882225
(2R)-2-[(3-methoxy-2,2,3-trimethylcyclobutyl)amino]propan-1-ol
CID 103825995
(2S)-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-2-methylsulfanylpropanamide
CID 95906448

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N'-methylpiperidine-1-carboximidamide?
The IUPAC name of 4-hydroxy-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N'-methylpiperidine-1-carboximidamide (CID 119161399) is 4-hydroxy-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N'-methylpiperidine-1-carboximidamide.
What is the SMILES notation for 4-hydroxy-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N'-methylpiperidine-1-carboximidamide?
The canonical SMILES for 4-hydroxy-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N'-methylpiperidine-1-carboximidamide is C/N=C(/NC1CC(C)(OC)C1(C)C)N1CCC(O)CC1.
What is the InChIKey of 4-hydroxy-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N'-methylpiperidine-1-carboximidamide?
The InChIKey is WKCALHQZVYWEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-14(2)12(10-15(14,3)20-5)17-13(16-4)18-8-6-11(19)7-9-18/h11-12,19H,6-10H2,1-5H3,(H,16,17).
What are the key properties of 4-hydroxy-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N'-methylpiperidine-1-carboximidamide?
4-hydroxy-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N'-methylpiperidine-1-carboximidamide has a molecular weight of 283.42 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N'-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 119161399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).