5-chloro-2-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide

C13H18ClN3O — CID 114678819

IUPAC5-chloro-2-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)ccc1N1CCC(O)C(C)C1
InChIInChI=1S/C13H18ClN3O/c1-8-7-17(5-4-12(8)18)11-3-2-9(14)6-10(11)13(15)16/h2-3,6,8,12,18H,4-5,7H2,1H3,(H3,15,16)
InChIKeyDUHLTLPNDMGDOM-UHFFFAOYSA-N
MW267.76 g/mol
LogP1.83
Rot. Bonds2

About 5-chloro-2-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide

5-chloro-2-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide (PubChem CID 114678819) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 5-chloro-2-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide.

Molecular Properties

Compound Name5-chloro-2-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide
PubChem CID114678819
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name5-chloro-2-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)ccc1N1CCC(O)C(C)C1
InChIInChI=1S/C13H18ClN3O/c1-8-7-17(5-4-12(8)18)11-3-2-9(14)6-10(11)13(15)16/h2-3,6,8,12,18H,4-5,7H2,1H3,(H3,15,16)
InChIKeyDUHLTLPNDMGDOM-UHFFFAOYSA-N
XLogP1.83
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 51.83
H-Bond Donors ≤ 53
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

3-chloro-4-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide
CID 114678801
5-chloro-2-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide
CID 62493250
2-fluoro-6-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide
CID 114678798
4-chloro-N'-hydroxy-2-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide
CID 114678753
5-chloro-2-(4-propan-2-ylpiperazin-1-yl)benzenecarboximidamide
CID 62492919
4-chloro-2-(3-methylpiperidin-1-yl)benzenecarboximidamide
CID 63094021
2-(4-tert-butylpiperidin-1-yl)-4-chlorobenzenecarboximidamide
CID 63094202
4-chloro-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenecarboximidamide
CID 112625770
2-(4-hydroxy-3-methylpiperidin-1-yl)-6-methylsulfanylbenzenecarboximidamide
CID 114678809
4-chloro-2-(3-propylpyrrolidin-1-yl)benzenecarboximidamide
CID 113417643
2-(3-hydroxypiperidin-1-yl)-5-methylbenzenecarboximidamide
CID 114017272
4-chloro-2-(4-ethyl-3-methylpiperazin-1-yl)benzenecarboximidamide
CID 63611102

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide?
The IUPAC name of 5-chloro-2-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide (CID 114678819) is 5-chloro-2-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide.
What is the SMILES notation for 5-chloro-2-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide?
The canonical SMILES for 5-chloro-2-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide is [H]/N=C(\N)c1cc(Cl)ccc1N1CCC(O)C(C)C1.
What is the InChIKey of 5-chloro-2-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide?
The InChIKey is DUHLTLPNDMGDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-8-7-17(5-4-12(8)18)11-3-2-9(14)6-10(11)13(15)16/h2-3,6,8,12,18H,4-5,7H2,1H3,(H3,15,16).
What are the key properties of 5-chloro-2-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide?
5-chloro-2-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide has a molecular weight of 267.76 g/mol, XLogP of 1.83, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide is sourced from PubChem (CID 114678819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).