(4-bromo-3-hydroxyphenyl)-(3-propoxypiperidin-1-yl)methanone

C15H20BrNO3 — CID 103872801

IUPAC(4-bromo-3-hydroxyphenyl)-(3-propoxypiperidin-1-yl)methanone
SMILESCCCOC1CCCN(C(=O)c2ccc(Br)c(O)c2)C1
InChIInChI=1S/C15H20BrNO3/c1-2-8-20-12-4-3-7-17(10-12)15(19)11-5-6-13(16)14(18)9-11/h5-6,9,12,18H,2-4,7-8,10H2,1H3
InChIKeyCVFAKMOEITXSJB-UHFFFAOYSA-N
MW342.23 g/mol
LogP3.19
Rot. Bonds4

About (4-bromo-3-hydroxyphenyl)-(3-propoxypiperidin-1-yl)methanone

(4-bromo-3-hydroxyphenyl)-(3-propoxypiperidin-1-yl)methanone (PubChem CID 103872801) has the molecular formula C15H20BrNO3 and a molecular weight of 342.23 g/mol. Its IUPAC name is (4-bromo-3-hydroxyphenyl)-(3-propoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-bromo-3-hydroxyphenyl)-(3-propoxypiperidin-1-yl)methanone
PubChem CID103872801
Molecular FormulaC15H20BrNO3
Molecular Weight342.23 g/mol
Exact Mass341.06
IUPAC Name(4-bromo-3-hydroxyphenyl)-(3-propoxypiperidin-1-yl)methanone
SMILESCCCOC1CCCN(C(=O)c2ccc(Br)c(O)c2)C1
InChIInChI=1S/C15H20BrNO3/c1-2-8-20-12-4-3-7-17(10-12)15(19)11-5-6-13(16)14(18)9-11/h5-6,9,12,18H,2-4,7-8,10H2,1H3
InChIKeyCVFAKMOEITXSJB-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 46029100
(4-amino-3-methylphenyl)-(3-propoxypiperidin-1-yl)methanone
CID 61170146
(5-bromothiophen-3-yl)-(3-propoxypiperidin-1-yl)methanone
CID 61171322
(4-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 46029094
[4-(chloromethyl)phenyl]-(3-propoxypiperidin-1-yl)methanone
CID 61169758
(3,5-diaminophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 61168973
(2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-propoxypiperidin-1-yl]methanone
CID 52537995
(3-bromo-5-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 103826766
4-(3-propoxypiperidine-1-carbonyl)benzenecarbothioamide
CID 47827117
(2-amino-5-hydroxyphenyl)-(3-propoxypiperidin-1-yl)methanone
CID 107074802
2-[3-[(3S)-3-propoxypiperidine-1-carbonyl]phenyl]pyridine-4-carboxylic acid
CID 125163547
(3-ethoxypiperidin-1-yl)-quinoxalin-6-ylmethanone
CID 16734283

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-hydroxyphenyl)-(3-propoxypiperidin-1-yl)methanone?
The IUPAC name of (4-bromo-3-hydroxyphenyl)-(3-propoxypiperidin-1-yl)methanone (CID 103872801) is (4-bromo-3-hydroxyphenyl)-(3-propoxypiperidin-1-yl)methanone.
What is the SMILES notation for (4-bromo-3-hydroxyphenyl)-(3-propoxypiperidin-1-yl)methanone?
The canonical SMILES for (4-bromo-3-hydroxyphenyl)-(3-propoxypiperidin-1-yl)methanone is CCCOC1CCCN(C(=O)c2ccc(Br)c(O)c2)C1.
What is the InChIKey of (4-bromo-3-hydroxyphenyl)-(3-propoxypiperidin-1-yl)methanone?
The InChIKey is CVFAKMOEITXSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO3/c1-2-8-20-12-4-3-7-17(10-12)15(19)11-5-6-13(16)14(18)9-11/h5-6,9,12,18H,2-4,7-8,10H2,1H3.
What are the key properties of (4-bromo-3-hydroxyphenyl)-(3-propoxypiperidin-1-yl)methanone?
(4-bromo-3-hydroxyphenyl)-(3-propoxypiperidin-1-yl)methanone has a molecular weight of 342.23 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-hydroxyphenyl)-(3-propoxypiperidin-1-yl)methanone is sourced from PubChem (CID 103872801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).