N-ethyl-N-[(2R)-1-methoxypropan-2-yl]piperidine-4-carboximidamide

C12H25N3O — CID 166705160

IUPACN-ethyl-N-[(2R)-1-methoxypropan-2-yl]piperidine-4-carboximidamide
SMILES[H]/N=C(/C1CCNCC1)N(CC)[C@H](C)COC
InChIInChI=1S/C12H25N3O/c1-4-15(10(2)9-16-3)12(13)11-5-7-14-8-6-11/h10-11,13-14H,4-9H2,1-3H3/b13-12-/t10-/m1/s1
InChIKeyXHYQSXCWDDXMIY-JBEXSADBSA-N
MW227.35 g/mol
LogP1.32
Rot. Bonds5

About N-ethyl-N-[(2R)-1-methoxypropan-2-yl]piperidine-4-carboximidamide

N-ethyl-N-[(2R)-1-methoxypropan-2-yl]piperidine-4-carboximidamide (PubChem CID 166705160) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is N-ethyl-N-[(2R)-1-methoxypropan-2-yl]piperidine-4-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N-[(2R)-1-methoxypropan-2-yl]piperidine-4-carboximidamide
PubChem CID166705160
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC NameN-ethyl-N-[(2R)-1-methoxypropan-2-yl]piperidine-4-carboximidamide
SMILES[H]/N=C(/C1CCNCC1)N(CC)[C@H](C)COC
InChIInChI=1S/C12H25N3O/c1-4-15(10(2)9-16-3)12(13)11-5-7-14-8-6-11/h10-11,13-14H,4-9H2,1-3H3/b13-12-/t10-/m1/s1
InChIKeyXHYQSXCWDDXMIY-JBEXSADBSA-N
XLogP1.32
TPSA48.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.32
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'}

Analyze N-ethyl-N-[(2R)-1-methoxypropan-2-yl]piperidine-4-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)cyclopentanecarboximidamide
CID 63177458
N-butan-2-yl-N-ethylcyclopentanecarboximidamide
CID 63176258
N-ethyl-N-(1-methoxypropan-2-yl)-3-piperidin-4-yloxypropanamide
CID 63876854
N-(2-methoxyethyl)-N-pentan-3-ylcyclohexanecarboximidamide
CID 63178188
2-ethyl-3-methyl-1-piperidin-4-ylbutan-1-imine
CID 174639777
N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-piperidin-4-ylsulfanylacetamide
CID 114627353
N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2,2-dimethylpropanimidamide
CID 63177457
N-ethyl-1-methoxy-N-(2-piperidin-4-ylsulfanylethyl)propan-2-amine
CID 114628469
N-(1-methoxypropan-2-yl)-N-methyl-2-piperidin-4-yloxyacetamide
CID 63876735
N-ethyl-N-(1-ethylsulfonylpropan-2-yl)piperidine-4-carboxamide
CID 119325090
N-(2-methoxyethyl)-N-methylcyclopentanecarboximidamide
CID 63177944
3-methoxy-2-methyl-N-piperidin-4-yl-N-propylpropanamide
CID 119824204

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(2R)-1-methoxypropan-2-yl]piperidine-4-carboximidamide?
The IUPAC name of N-ethyl-N-[(2R)-1-methoxypropan-2-yl]piperidine-4-carboximidamide (CID 166705160) is N-ethyl-N-[(2R)-1-methoxypropan-2-yl]piperidine-4-carboximidamide.
What is the SMILES notation for N-ethyl-N-[(2R)-1-methoxypropan-2-yl]piperidine-4-carboximidamide?
The canonical SMILES for N-ethyl-N-[(2R)-1-methoxypropan-2-yl]piperidine-4-carboximidamide is [H]/N=C(/C1CCNCC1)N(CC)[C@H](C)COC.
What is the InChIKey of N-ethyl-N-[(2R)-1-methoxypropan-2-yl]piperidine-4-carboximidamide?
The InChIKey is XHYQSXCWDDXMIY-JBEXSADBSA-N. The full InChI is InChI=1S/C12H25N3O/c1-4-15(10(2)9-16-3)12(13)11-5-7-14-8-6-11/h10-11,13-14H,4-9H2,1-3H3/b13-12-/t10-/m1/s1.
What are the key properties of N-ethyl-N-[(2R)-1-methoxypropan-2-yl]piperidine-4-carboximidamide?
N-ethyl-N-[(2R)-1-methoxypropan-2-yl]piperidine-4-carboximidamide has a molecular weight of 227.35 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(2R)-1-methoxypropan-2-yl]piperidine-4-carboximidamide is sourced from PubChem (CID 166705160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).