2-chloro-4-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide

C13H18ClN3O — CID 55154725

IUPAC2-chloro-4-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC2CCN(C)CC2)cc1Cl
InChIInChI=1S/C13H18ClN3O/c1-17-6-4-9(5-7-17)18-10-2-3-11(13(15)16)12(14)8-10/h2-3,8-9H,4-7H2,1H3,(H3,15,16)
InChIKeyRVZUURIABRPJHN-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.10
Rot. Bonds3

About 2-chloro-4-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide

2-chloro-4-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide (PubChem CID 55154725) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-chloro-4-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-4-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide
PubChem CID55154725
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name2-chloro-4-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC2CCN(C)CC2)cc1Cl
InChIInChI=1S/C13H18ClN3O/c1-17-6-4-9(5-7-17)18-10-2-3-11(13(15)16)12(14)8-10/h2-3,8-9H,4-7H2,1H3,(H3,15,16)
InChIKeyRVZUURIABRPJHN-UHFFFAOYSA-N
XLogP2.10
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.10
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-chloro-4-cycloheptyloxybenzenecarboximidamide
CID 55154723
2-bromo-4-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide
CID 107279600
2-chloro-4-(3-methylcyclohexyl)oxybenzenecarboximidamide
CID 62948386
2-chloro-4-(1-methylpiperidin-4-yl)oxybenzoic acid
CID 55153382
2-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide;hydrochloride
CID 82240674
2-chloro-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide
CID 63236890
3-methyl-2-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide
CID 107110675
2-chloro-4-(3-methoxypyrrolidin-1-yl)benzenecarboximidamide
CID 103534098
2-chloro-4-(2-cyclobutylethoxy)benzenecarboximidamide
CID 106202100
2-chloro-4-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzenecarboximidamide
CID 102724526
2-chloro-4-hexoxybenzenecarboximidamide
CID 62948385
3-bromo-4-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide
CID 82799029

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide?
The IUPAC name of 2-chloro-4-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide (CID 55154725) is 2-chloro-4-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide.
What is the SMILES notation for 2-chloro-4-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide?
The canonical SMILES for 2-chloro-4-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide is [H]/N=C(\N)c1ccc(OC2CCN(C)CC2)cc1Cl.
What is the InChIKey of 2-chloro-4-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide?
The InChIKey is RVZUURIABRPJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-17-6-4-9(5-7-17)18-10-2-3-11(13(15)16)12(14)8-10/h2-3,8-9H,4-7H2,1H3,(H3,15,16).
What are the key properties of 2-chloro-4-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide?
2-chloro-4-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide has a molecular weight of 267.76 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide is sourced from PubChem (CID 55154725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).