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

C14H18Cl2N2O2 — CID 61091726

IUPAC(3-amino-4,5-dichlorophenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESNc1cc(C(=O)N2CCCCC2CCO)cc(Cl)c1Cl
InChIInChI=1S/C14H18Cl2N2O2/c15-11-7-9(8-12(17)13(11)16)14(20)18-5-2-1-3-10(18)4-6-19/h7-8,10,19H,1-6,17H2
InChIKeyKLOOHBAIWUUSNO-UHFFFAOYSA-N
MW317.22 g/mol
LogP2.95
Rot. Bonds3

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

(3-amino-4,5-dichlorophenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 61091726) has the molecular formula C14H18Cl2N2O2 and a molecular weight of 317.22 g/mol. Its IUPAC name is (3-amino-4,5-dichlorophenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-amino-4,5-dichlorophenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
PubChem CID61091726
Molecular FormulaC14H18Cl2N2O2
Molecular Weight317.22 g/mol
Exact Mass316.07
IUPAC Name(3-amino-4,5-dichlorophenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESNc1cc(C(=O)N2CCCCC2CCO)cc(Cl)c1Cl
InChIInChI=1S/C14H18Cl2N2O2/c15-11-7-9(8-12(17)13(11)16)14(20)18-5-2-1-3-10(18)4-6-19/h7-8,10,19H,1-6,17H2
InChIKeyKLOOHBAIWUUSNO-UHFFFAOYSA-N
XLogP2.95
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-amino-4,5-dichlorophenyl)-(2-ethylazepan-1-yl)methanone
CID 104688588
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-amino-4,5-dichlorophenyl)methanone
CID 102725149
(4-amino-3-hydroxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107073768
(2,6-dimethyl-4-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 77081763
3-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-5-methylbenzamide
CID 90757369
(3-amino-4-ethoxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 61091912
[2-(2-hydroxyethyl)piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 60742117
(4-amino-3,5-dichlorophenyl)-(2-ethylazepan-1-yl)methanone
CID 115869139
(3-chloro-4-hydroxy-5-methoxyphenyl)-[2-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 155951053
(4,5-dichloro-1H-pyrrol-2-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 60741387
(5-amino-2,4-dimethylphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 102704877
(3-amino-4,5-dichlorophenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 61094418

Frequently Asked Questions

What is the IUPAC name of (3-amino-4,5-dichlorophenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-amino-4,5-dichlorophenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone (CID 61091726) is (3-amino-4,5-dichlorophenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-amino-4,5-dichlorophenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-amino-4,5-dichlorophenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone is Nc1cc(C(=O)N2CCCCC2CCO)cc(Cl)c1Cl.
What is the InChIKey of (3-amino-4,5-dichlorophenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
The InChIKey is KLOOHBAIWUUSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2/c15-11-7-9(8-12(17)13(11)16)14(20)18-5-2-1-3-10(18)4-6-19/h7-8,10,19H,1-6,17H2.
What are the key properties of (3-amino-4,5-dichlorophenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
(3-amino-4,5-dichlorophenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone has a molecular weight of 317.22 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4,5-dichlorophenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 61091726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).