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

C15H20BrNO3 — CID 82695761

IUPAC(2-bromo-5-methylphenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
SMILESCc1ccc(Br)c(C(=O)N2CCC(OCCO)CC2)c1
InChIInChI=1S/C15H20BrNO3/c1-11-2-3-14(16)13(10-11)15(19)17-6-4-12(5-7-17)20-9-8-18/h2-3,10,12,18H,4-9H2,1H3
InChIKeyVNKQEWKMGFDJLS-UHFFFAOYSA-N
MW342.23 g/mol
LogP2.37
Rot. Bonds4

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

(2-bromo-5-methylphenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone (PubChem CID 82695761) has the molecular formula C15H20BrNO3 and a molecular weight of 342.23 g/mol. Its IUPAC name is (2-bromo-5-methylphenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-bromo-5-methylphenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
PubChem CID82695761
Molecular FormulaC15H20BrNO3
Molecular Weight342.23 g/mol
Exact Mass341.06
IUPAC Name(2-bromo-5-methylphenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
SMILESCc1ccc(Br)c(C(=O)N2CCC(OCCO)CC2)c1
InChIInChI=1S/C15H20BrNO3/c1-11-2-3-14(16)13(10-11)15(19)17-6-4-12(5-7-17)20-9-8-18/h2-3,10,12,18H,4-9H2,1H3
InChIKeyVNKQEWKMGFDJLS-UHFFFAOYSA-N
XLogP2.37
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-hydrazinyl-4-methylphenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 82684955
(2-bromo-5-methylphenyl)-[4-(bromomethyl)piperidin-1-yl]methanone
CID 81117231
(2-bromo-5-methylphenyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 81002288
(2-bromo-5-methylphenyl)-(4-propylpiperidin-1-yl)methanone
CID 81110133
1-(2-bromo-5-methylbenzoyl)piperidine-4-carboxamide
CID 80948959
(2-bromo-5-methylphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 81005616
[4-(2-bromoethoxy)piperidin-1-yl]-(2-chloro-4-methylphenyl)methanone
CID 106863993
(2-amino-5-hydroxyphenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 107075819
[4-(2-chloroethoxy)piperidin-1-yl]-(2-hydroxy-4-methylphenyl)methanone
CID 82701691
[4-(2-chloroethoxy)piperidin-1-yl]-(2-chloro-4-methylphenyl)methanone
CID 106863992
[4-(3-aminopropoxy)piperidin-1-yl]-(2-bromo-5-chlorophenyl)methanone;hydrochloride
CID 119664069
(2-bromo-6-fluorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 115772825

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-methylphenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone?
The IUPAC name of (2-bromo-5-methylphenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone (CID 82695761) is (2-bromo-5-methylphenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone.
What is the SMILES notation for (2-bromo-5-methylphenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone?
The canonical SMILES for (2-bromo-5-methylphenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone is Cc1ccc(Br)c(C(=O)N2CCC(OCCO)CC2)c1.
What is the InChIKey of (2-bromo-5-methylphenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone?
The InChIKey is VNKQEWKMGFDJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO3/c1-11-2-3-14(16)13(10-11)15(19)17-6-4-12(5-7-17)20-9-8-18/h2-3,10,12,18H,4-9H2,1H3.
What are the key properties of (2-bromo-5-methylphenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone?
(2-bromo-5-methylphenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone has a molecular weight of 342.23 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-methylphenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 82695761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).