(5-amino-2,3-dichlorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone

C14H18Cl2N2O3 — CID 107185687

IUPAC(5-amino-2,3-dichlorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
SMILESNc1cc(Cl)c(Cl)c(C(=O)N2CCC(OCCO)CC2)c1
InChIInChI=1S/C14H18Cl2N2O3/c15-12-8-9(17)7-11(13(12)16)14(20)18-3-1-10(2-4-18)21-6-5-19/h7-8,10,19H,1-6,17H2
InChIKeyUZBVJHZTLBMGMP-UHFFFAOYSA-N
MW333.22 g/mol
LogP2.19
Rot. Bonds4

About (5-amino-2,3-dichlorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone

(5-amino-2,3-dichlorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone (PubChem CID 107185687) has the molecular formula C14H18Cl2N2O3 and a molecular weight of 333.22 g/mol. Its IUPAC name is (5-amino-2,3-dichlorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-amino-2,3-dichlorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
PubChem CID107185687
Molecular FormulaC14H18Cl2N2O3
Molecular Weight333.22 g/mol
Exact Mass332.07
IUPAC Name(5-amino-2,3-dichlorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
SMILESNc1cc(Cl)c(Cl)c(C(=O)N2CCC(OCCO)CC2)c1
InChIInChI=1S/C14H18Cl2N2O3/c15-12-8-9(17)7-11(13(12)16)14(20)18-3-1-10(2-4-18)21-6-5-19/h7-8,10,19H,1-6,17H2
InChIKeyUZBVJHZTLBMGMP-UHFFFAOYSA-N
XLogP2.19
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3-amino-4-chlorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 82696199
(2-amino-5-hydroxyphenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 107075819
(5-chloro-2-hydrazinylphenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 82685064
(5-amino-2,3-dichlorophenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 107185070
(5-amino-2,3-dichlorophenyl)-(4-propylazepan-1-yl)methanone
CID 107185271
(5-amino-2,3-dichlorophenyl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107210976
(2-bromo-5-methylphenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 82695761
(5-amino-2,3-dichlorophenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 107185109
methyl N-[1-(5-amino-2,3-dichlorobenzoyl)pyrrolidin-3-yl]carbamate
CID 107185781
(3-bromo-5-chlorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 103899120
[4-(3-aminopropoxy)piperidin-1-yl]-(5-bromo-2-chlorophenyl)methanone
CID 79736213
2-[1-(4-amino-6-chloro-2-pyridinyl)piperidin-4-yl]oxyethanol
CID 104925064

Frequently Asked Questions

What is the IUPAC name of (5-amino-2,3-dichlorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone?
The IUPAC name of (5-amino-2,3-dichlorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone (CID 107185687) is (5-amino-2,3-dichlorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone.
What is the SMILES notation for (5-amino-2,3-dichlorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone?
The canonical SMILES for (5-amino-2,3-dichlorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone is Nc1cc(Cl)c(Cl)c(C(=O)N2CCC(OCCO)CC2)c1.
What is the InChIKey of (5-amino-2,3-dichlorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone?
The InChIKey is UZBVJHZTLBMGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O3/c15-12-8-9(17)7-11(13(12)16)14(20)18-3-1-10(2-4-18)21-6-5-19/h7-8,10,19H,1-6,17H2.
What are the key properties of (5-amino-2,3-dichlorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone?
(5-amino-2,3-dichlorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone has a molecular weight of 333.22 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2,3-dichlorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 107185687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).