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

C13H18ClN3O — CID 114678801

IUPAC3-chloro-4-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCC(O)C(C)C2)c(Cl)c1
InChIInChI=1S/C13H18ClN3O/c1-8-7-17(5-4-12(8)18)11-3-2-9(13(15)16)6-10(11)14/h2-3,6,8,12,18H,4-5,7H2,1H3,(H3,15,16)
InChIKeyAKHAWMGLWZGBBZ-UHFFFAOYSA-N
MW267.76 g/mol
LogP1.83
Rot. Bonds2

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

3-chloro-4-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide (PubChem CID 114678801) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 3-chloro-4-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-4-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide
PubChem CID114678801
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name3-chloro-4-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCC(O)C(C)C2)c(Cl)c1
InChIInChI=1S/C13H18ClN3O/c1-8-7-17(5-4-12(8)18)11-3-2-9(13(15)16)6-10(11)14/h2-3,6,8,12,18H,4-5,7H2,1H3,(H3,15,16)
InChIKeyAKHAWMGLWZGBBZ-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'}

Analyze 3-chloro-4-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide 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

3-chloro-4-(4-methylpiperidin-1-yl)benzenecarboximidamide
CID 63088218
3-chloro-4-(4-hydroxypiperidin-1-yl)benzenecarboximidamide
CID 63087893
3-chloro-4-(3,4-dihydroxypyrrolidin-1-yl)benzenecarboximidamide
CID 106669767
5-chloro-2-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide
CID 114678819
3-chloro-4-[3-(methoxymethyl)pyrrolidin-1-yl]benzenecarboximidamide
CID 64598339
3-chloro-4-(4-ethylpiperidin-1-yl)benzenecarboximidamide
CID 63088065
1-[3-chloro-4-(4-hydroxy-3-methylpiperidin-1-yl)phenyl]ethanone
CID 114678928
4-(azocan-1-yl)-3-chlorobenzenecarboximidamide
CID 63088884
3-chloro-4-(3-ethyl-4-methylpiperazin-1-yl)benzenecarboximidamide
CID 63609196
2-fluoro-6-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide
CID 114678798
3-chloro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenecarboximidamide
CID 82696027
2-(4-hydroxy-3-methylpiperidin-1-yl)-6-methylsulfanylbenzenecarboximidamide
CID 114678809

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide?
The IUPAC name of 3-chloro-4-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide (CID 114678801) is 3-chloro-4-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide.
What is the SMILES notation for 3-chloro-4-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide?
The canonical SMILES for 3-chloro-4-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(N2CCC(O)C(C)C2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide?
The InChIKey is AKHAWMGLWZGBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-8-7-17(5-4-12(8)18)11-3-2-9(13(15)16)6-10(11)14/h2-3,6,8,12,18H,4-5,7H2,1H3,(H3,15,16).
What are the key properties of 3-chloro-4-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide?
3-chloro-4-(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 3-chloro-4-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide is sourced from PubChem (CID 114678801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).