4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-3-methylbenzenecarboximidamide

C16H25N3O — CID 107392935

IUPAC4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN2CCCC(C)(OC)C2)c(C)c1
InChIInChI=1S/C16H25N3O/c1-12-9-13(15(17)18)5-6-14(12)10-19-8-4-7-16(2,11-19)20-3/h5-6,9H,4,7-8,10-11H2,1-3H3,(H3,17,18)
InChIKeyXBWQKRALRAVSJV-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.28
Rot. Bonds4

About 4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-3-methylbenzenecarboximidamide

4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-3-methylbenzenecarboximidamide (PubChem CID 107392935) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-3-methylbenzenecarboximidamide
PubChem CID107392935
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN2CCCC(C)(OC)C2)c(C)c1
InChIInChI=1S/C16H25N3O/c1-12-9-13(15(17)18)5-6-14(12)10-19-8-4-7-16(2,11-19)20-3/h5-6,9H,4,7-8,10-11H2,1-3H3,(H3,17,18)
InChIKeyXBWQKRALRAVSJV-UHFFFAOYSA-N
XLogP2.28
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.28
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 4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-3-methylbenzenecarboximidamide 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

4-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]-3-methylbenzenecarboximidamide
CID 114483641
4-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-3-methylbenzenecarboximidamide
CID 103534175
4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-3-methylbenzenecarboximidamide
CID 114483448
4-[(3,4-dimethylpiperidin-1-yl)methyl]-3-methylbenzenecarboximidamide
CID 114483636
3-fluoro-4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]aniline
CID 107390766
4-[(4-butan-2-ylpiperazin-1-yl)methyl]-3-methylbenzenecarboximidamide
CID 114483527
4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-3-methylbenzenecarboximidamide
CID 114483551
4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]benzoic acid
CID 107393386
[3-fluoro-4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]phenyl]boronic acid
CID 107394509
4-[(4,4-dimethylcyclohexyl)oxymethyl]-3-methylbenzenecarboximidamide
CID 114483836
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-3-methylbenzenecarboximidamide
CID 114483358
4-(2,3-dihydroindol-1-ylmethyl)-3-methylbenzenecarboximidamide
CID 114483353

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-3-methylbenzenecarboximidamide?
The IUPAC name of 4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-3-methylbenzenecarboximidamide (CID 107392935) is 4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-3-methylbenzenecarboximidamide.
What is the SMILES notation for 4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-3-methylbenzenecarboximidamide?
The canonical SMILES for 4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-3-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(CN2CCCC(C)(OC)C2)c(C)c1.
What is the InChIKey of 4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-3-methylbenzenecarboximidamide?
The InChIKey is XBWQKRALRAVSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12-9-13(15(17)18)5-6-14(12)10-19-8-4-7-16(2,11-19)20-3/h5-6,9H,4,7-8,10-11H2,1-3H3,(H3,17,18).
What are the key properties of 4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-3-methylbenzenecarboximidamide?
4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-3-methylbenzenecarboximidamide has a molecular weight of 275.40 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-3-methylbenzenecarboximidamide is sourced from PubChem (CID 107392935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).