(3-bromo-5-chlorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone

C14H17BrClNO3 — CID 103899120

IUPAC(3-bromo-5-chlorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
SMILESO=C(c1cc(Cl)cc(Br)c1)N1CCC(OCCO)CC1
InChIInChI=1S/C14H17BrClNO3/c15-11-7-10(8-12(16)9-11)14(19)17-3-1-13(2-4-17)20-6-5-18/h7-9,13,18H,1-6H2
InChIKeyREIODKATYRWIBX-UHFFFAOYSA-N
MW362.65 g/mol
LogP2.72
Rot. Bonds4

About (3-bromo-5-chlorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone

(3-bromo-5-chlorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone (PubChem CID 103899120) has the molecular formula C14H17BrClNO3 and a molecular weight of 362.65 g/mol. Its IUPAC name is (3-bromo-5-chlorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-bromo-5-chlorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
PubChem CID103899120
Molecular FormulaC14H17BrClNO3
Molecular Weight362.65 g/mol
Exact Mass361.01
IUPAC Name(3-bromo-5-chlorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
SMILESO=C(c1cc(Cl)cc(Br)c1)N1CCC(OCCO)CC1
InChIInChI=1S/C14H17BrClNO3/c15-11-7-10(8-12(16)9-11)14(19)17-3-1-13(2-4-17)20-6-5-18/h7-9,13,18H,1-6H2
InChIKeyREIODKATYRWIBX-UHFFFAOYSA-N
XLogP2.72
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.65
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-5-chlorophenyl)-(4-chloropiperidin-1-yl)methanone
CID 107940961
(3-bromo-5-chlorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 110407354
(3-bromo-5-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 103826766
2-[1-(3-bromo-5-chlorobenzoyl)piperidin-4-yl]acetic acid
CID 107938177
2-[1-(3,5-dichlorobenzoyl)piperidin-4-yl]oxyacetic acid
CID 63870230
(3-amino-4-chlorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 82696199
(3-bromo-5-chlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 103827075
(3-bromo-5-methylphenyl)-(4-ethoxypiperidin-1-yl)methanone
CID 113460719
(3-bromo-5-chlorophenyl)-(4-propylazepan-1-yl)methanone
CID 107952466
[4-(3-aminopropoxy)piperidin-1-yl]-(3-chloro-5-methylphenyl)methanone
CID 81316588
N-[1-(3-bromo-5-chlorobenzoyl)piperidin-4-yl]acetamide
CID 103826810
(3-bromo-5-chlorophenyl)-(3-propylpyrrolidin-1-yl)methanone
CID 103826985

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chlorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone?
The IUPAC name of (3-bromo-5-chlorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone (CID 103899120) is (3-bromo-5-chlorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone.
What is the SMILES notation for (3-bromo-5-chlorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone?
The canonical SMILES for (3-bromo-5-chlorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone is O=C(c1cc(Cl)cc(Br)c1)N1CCC(OCCO)CC1.
What is the InChIKey of (3-bromo-5-chlorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone?
The InChIKey is REIODKATYRWIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClNO3/c15-11-7-10(8-12(16)9-11)14(19)17-3-1-13(2-4-17)20-6-5-18/h7-9,13,18H,1-6H2.
What are the key properties of (3-bromo-5-chlorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone?
(3-bromo-5-chlorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone has a molecular weight of 362.65 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-chlorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 103899120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).