2-chloro-4-(3-methoxypiperidin-1-yl)benzenecarboximidamide

C13H18ClN3O — CID 102958478

IUPAC2-chloro-4-(3-methoxypiperidin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCCC(OC)C2)cc1Cl
InChIInChI=1S/C13H18ClN3O/c1-18-10-3-2-6-17(8-10)9-4-5-11(13(15)16)12(14)7-9/h4-5,7,10H,2-3,6,8H2,1H3,(H3,15,16)
InChIKeyDEZHYESBQJFZCG-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.24
Rot. Bonds3

About 2-chloro-4-(3-methoxypiperidin-1-yl)benzenecarboximidamide

2-chloro-4-(3-methoxypiperidin-1-yl)benzenecarboximidamide (PubChem CID 102958478) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-chloro-4-(3-methoxypiperidin-1-yl)benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-4-(3-methoxypiperidin-1-yl)benzenecarboximidamide
PubChem CID102958478
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name2-chloro-4-(3-methoxypiperidin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCCC(OC)C2)cc1Cl
InChIInChI=1S/C13H18ClN3O/c1-18-10-3-2-6-17(8-10)9-4-5-11(13(15)16)12(14)7-9/h4-5,7,10H,2-3,6,8H2,1H3,(H3,15,16)
InChIKeyDEZHYESBQJFZCG-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
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-(3-methoxypyrrolidin-1-yl)benzenecarboximidamide
CID 103534098
5-(3-methoxypiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide
CID 102958460
2-(3-methoxypiperidin-1-yl)-5-methylbenzenecarboximidamide
CID 114017311
[2-chloro-4-(3-methoxypiperidin-1-yl)phenyl]methanol
CID 114064308
2-chloro-4-(4-cyclopropylpiperazin-1-yl)benzenecarboximidamide
CID 62947696
2-chloro-4-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide
CID 55153583
4-(3-methoxypyrrolidin-1-yl)benzenecarboximidamide
CID 103534085
2-chloro-4-(3-morpholin-4-ylpyrrolidin-1-yl)benzenecarboximidamide
CID 63170463
2-chloro-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]benzenecarboximidamide
CID 81465237
2-bromo-4-(3-methylpiperidin-1-yl)benzenecarboximidamide
CID 107279080
2-chloro-4-(2-ethylazepan-1-yl)benzenecarboximidamide
CID 104690051
2-chloro-4-(2,5-dimethylmorpholin-4-yl)benzenecarboximidamide
CID 62948700

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-methoxypiperidin-1-yl)benzenecarboximidamide?
The IUPAC name of 2-chloro-4-(3-methoxypiperidin-1-yl)benzenecarboximidamide (CID 102958478) is 2-chloro-4-(3-methoxypiperidin-1-yl)benzenecarboximidamide.
What is the SMILES notation for 2-chloro-4-(3-methoxypiperidin-1-yl)benzenecarboximidamide?
The canonical SMILES for 2-chloro-4-(3-methoxypiperidin-1-yl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(N2CCCC(OC)C2)cc1Cl.
What is the InChIKey of 2-chloro-4-(3-methoxypiperidin-1-yl)benzenecarboximidamide?
The InChIKey is DEZHYESBQJFZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-18-10-3-2-6-17(8-10)9-4-5-11(13(15)16)12(14)7-9/h4-5,7,10H,2-3,6,8H2,1H3,(H3,15,16).
What are the key properties of 2-chloro-4-(3-methoxypiperidin-1-yl)benzenecarboximidamide?
2-chloro-4-(3-methoxypiperidin-1-yl)benzenecarboximidamide has a molecular weight of 267.76 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-methoxypiperidin-1-yl)benzenecarboximidamide is sourced from PubChem (CID 102958478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).