2-methoxy-4-(piperidin-1-ylmethyl)benzenecarboximidamide

C14H21N3O — CID 106790530

IUPAC2-methoxy-4-(piperidin-1-ylmethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN2CCCCC2)cc1OC
InChIInChI=1S/C14H21N3O/c1-18-13-9-11(5-6-12(13)14(15)16)10-17-7-3-2-4-8-17/h5-6,9H,2-4,7-8,10H2,1H3,(H3,15,16)
InChIKeyNLBCNDSQOOFQSM-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.97
Rot. Bonds4

About 2-methoxy-4-(piperidin-1-ylmethyl)benzenecarboximidamide

2-methoxy-4-(piperidin-1-ylmethyl)benzenecarboximidamide (PubChem CID 106790530) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-methoxy-4-(piperidin-1-ylmethyl)benzenecarboximidamide.

Molecular Properties

Compound Name2-methoxy-4-(piperidin-1-ylmethyl)benzenecarboximidamide
PubChem CID106790530
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-methoxy-4-(piperidin-1-ylmethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN2CCCCC2)cc1OC
InChIInChI=1S/C14H21N3O/c1-18-13-9-11(5-6-12(13)14(15)16)10-17-7-3-2-4-8-17/h5-6,9H,2-4,7-8,10H2,1H3,(H3,15,16)
InChIKeyNLBCNDSQOOFQSM-UHFFFAOYSA-N
XLogP1.97
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.97
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

2-methoxy-4-[(4-methyl-1,4-diazepan-1-yl)methyl]benzenecarboximidamide
CID 106790543
4-[(4-hydroxy-4-methylazepan-1-yl)methyl]-2-methoxybenzenecarboximidamide
CID 107404848
4-[(4-ethylazepan-1-yl)methyl]-2-methoxybenzenecarboximidamide
CID 106790895
4-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]-2-methoxybenzenecarboximidamide
CID 106790956
2-methoxy-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]benzenecarboximidamide
CID 106790715
4-[(3,3-dimethylpyrrolidin-1-yl)methyl]-2-methoxybenzenecarboximidamide
CID 106790941
4-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]-2-methoxybenzenecarboximidamide
CID 107455552
2-methoxy-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]benzenecarboximidamide
CID 106790863
4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-2-methoxybenzenecarboximidamide
CID 106790819
4-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]-2-methoxybenzenecarboximidamide
CID 106790876
4-[(2,4-dimethylpyrrolidin-1-yl)methyl]-2-methoxybenzenecarboximidamide
CID 106791012
2-methoxy-4-(methylsulfanylmethyl)benzenecarboximidamide
CID 106791936

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(piperidin-1-ylmethyl)benzenecarboximidamide?
The IUPAC name of 2-methoxy-4-(piperidin-1-ylmethyl)benzenecarboximidamide (CID 106790530) is 2-methoxy-4-(piperidin-1-ylmethyl)benzenecarboximidamide.
What is the SMILES notation for 2-methoxy-4-(piperidin-1-ylmethyl)benzenecarboximidamide?
The canonical SMILES for 2-methoxy-4-(piperidin-1-ylmethyl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(CN2CCCCC2)cc1OC.
What is the InChIKey of 2-methoxy-4-(piperidin-1-ylmethyl)benzenecarboximidamide?
The InChIKey is NLBCNDSQOOFQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-18-13-9-11(5-6-12(13)14(15)16)10-17-7-3-2-4-8-17/h5-6,9H,2-4,7-8,10H2,1H3,(H3,15,16).
What are the key properties of 2-methoxy-4-(piperidin-1-ylmethyl)benzenecarboximidamide?
2-methoxy-4-(piperidin-1-ylmethyl)benzenecarboximidamide has a molecular weight of 247.34 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(piperidin-1-ylmethyl)benzenecarboximidamide is sourced from PubChem (CID 106790530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).