[4-(2-bromoethoxy)piperidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone

C14H17BrClNO3 — CID 82702067

IUPAC[4-(2-bromoethoxy)piperidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone
SMILESO=C(c1cc(Cl)ccc1O)N1CCC(OCCBr)CC1
InChIInChI=1S/C14H17BrClNO3/c15-5-8-20-11-3-6-17(7-4-11)14(19)12-9-10(16)1-2-13(12)18/h1-2,9,11,18H,3-8H2
InChIKeyJNLFVSNNAGOOLJ-UHFFFAOYSA-N
MW362.65 g/mol
LogP3.06
Rot. Bonds4

About [4-(2-bromoethoxy)piperidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone

[4-(2-bromoethoxy)piperidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone (PubChem CID 82702067) has the molecular formula C14H17BrClNO3 and a molecular weight of 362.65 g/mol. Its IUPAC name is [4-(2-bromoethoxy)piperidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[4-(2-bromoethoxy)piperidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone
PubChem CID82702067
Molecular FormulaC14H17BrClNO3
Molecular Weight362.65 g/mol
Exact Mass361.01
IUPAC Name[4-(2-bromoethoxy)piperidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone
SMILESO=C(c1cc(Cl)ccc1O)N1CCC(OCCBr)CC1
InChIInChI=1S/C14H17BrClNO3/c15-5-8-20-11-3-6-17(7-4-11)14(19)12-9-10(16)1-2-13(12)18/h1-2,9,11,18H,3-8H2
InChIKeyJNLFVSNNAGOOLJ-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(2-bromoethoxy)piperidin-1-yl]-(2-hydroxy-5-iodophenyl)methanone
CID 107732684
2-[1-(5-chloro-2-hydroxybenzoyl)piperidin-4-yl]oxyacetic acid
CID 63869220
[4-(2-bromoethoxy)piperidin-1-yl]-(2-chloro-5-hydroxyphenyl)methanone
CID 106503185
[4-(2-bromoethoxy)piperidin-1-yl]-(2-chloro-4-methylphenyl)methanone
CID 106863993
[4-(2-bromoethoxy)piperidin-1-yl]-(2-chloro-5-methylsulfanylphenyl)methanone
CID 82687777
(5-chloro-2-hydroxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 18108514
[3-(2-bromoethyl)piperidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone
CID 80668613
[4-(3-aminopropoxy)piperidin-1-yl]-(2-bromo-5-chlorophenyl)methanone;hydrochloride
CID 119664069
1-(5-chloro-2-hydroxybenzoyl)piperidine-4-carboxylic acid
CID 24691005
[(3S)-3-aminopyrrolidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone
CID 94339999
[4-(2-bromoethoxy)piperidin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone
CID 107016929
(5-chloro-2-hydrazinylphenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 82685064

Frequently Asked Questions

What is the IUPAC name of [4-(2-bromoethoxy)piperidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone?
The IUPAC name of [4-(2-bromoethoxy)piperidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone (CID 82702067) is [4-(2-bromoethoxy)piperidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone.
What is the SMILES notation for [4-(2-bromoethoxy)piperidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone?
The canonical SMILES for [4-(2-bromoethoxy)piperidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone is O=C(c1cc(Cl)ccc1O)N1CCC(OCCBr)CC1.
What is the InChIKey of [4-(2-bromoethoxy)piperidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone?
The InChIKey is JNLFVSNNAGOOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClNO3/c15-5-8-20-11-3-6-17(7-4-11)14(19)12-9-10(16)1-2-13(12)18/h1-2,9,11,18H,3-8H2.
What are the key properties of [4-(2-bromoethoxy)piperidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone?
[4-(2-bromoethoxy)piperidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone has a molecular weight of 362.65 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-bromoethoxy)piperidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone is sourced from PubChem (CID 82702067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).