[4-(2-bromoethoxy)piperidin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone

C14H17BrFNO3 — CID 107016929

IUPAC[4-(2-bromoethoxy)piperidin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone
SMILESO=C(c1c(O)cccc1F)N1CCC(OCCBr)CC1
InChIInChI=1S/C14H17BrFNO3/c15-6-9-20-10-4-7-17(8-5-10)14(19)13-11(16)2-1-3-12(13)18/h1-3,10,18H,4-9H2
InChIKeyCNNXGEHGJRVKSR-UHFFFAOYSA-N
MW346.20 g/mol
LogP2.55
Rot. Bonds4

About [4-(2-bromoethoxy)piperidin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone

[4-(2-bromoethoxy)piperidin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone (PubChem CID 107016929) has the molecular formula C14H17BrFNO3 and a molecular weight of 346.20 g/mol. Its IUPAC name is [4-(2-bromoethoxy)piperidin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[4-(2-bromoethoxy)piperidin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone
PubChem CID107016929
Molecular FormulaC14H17BrFNO3
Molecular Weight346.20 g/mol
Exact Mass345.04
IUPAC Name[4-(2-bromoethoxy)piperidin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone
SMILESO=C(c1c(O)cccc1F)N1CCC(OCCBr)CC1
InChIInChI=1S/C14H17BrFNO3/c15-6-9-20-10-4-7-17(8-5-10)14(19)13-11(16)2-1-3-12(13)18/h1-3,10,18H,4-9H2
InChIKeyCNNXGEHGJRVKSR-UHFFFAOYSA-N
XLogP2.55
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.20
LogP ≤ 52.55
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-bromo-6-fluorophenyl)methanone
CID 114561107
(2-bromo-6-fluorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 115772825
[3-(2-bromoethyl)pyrrolidin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone
CID 107017027
[4-(2-bromoethoxy)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 82701843
(2-fluoro-6-hydroxyphenyl)-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methanone
CID 136532454
[4-(2-bromoethoxy)piperidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone
CID 82702067
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(2,6-difluorophenyl)methanone
CID 121197502
[4-(2-bromoethoxy)piperidin-1-yl]-(3-hydroxy-4-methylphenyl)methanone
CID 82701331
[4-(2-bromoethoxy)piperidin-1-yl]-(2-hydroxy-5-iodophenyl)methanone
CID 107732684
[4-(2-bromoethoxy)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 82688043
[4-(2-bromoethoxy)piperidin-1-yl]-(4-fluoro-3-methoxyphenyl)methanone
CID 82689439
[4-(2-chloroethoxy)piperidin-1-yl]-(2,3-difluorophenyl)methanone
CID 82701609

Frequently Asked Questions

What is the IUPAC name of [4-(2-bromoethoxy)piperidin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone?
The IUPAC name of [4-(2-bromoethoxy)piperidin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone (CID 107016929) is [4-(2-bromoethoxy)piperidin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone.
What is the SMILES notation for [4-(2-bromoethoxy)piperidin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone?
The canonical SMILES for [4-(2-bromoethoxy)piperidin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone is O=C(c1c(O)cccc1F)N1CCC(OCCBr)CC1.
What is the InChIKey of [4-(2-bromoethoxy)piperidin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone?
The InChIKey is CNNXGEHGJRVKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFNO3/c15-6-9-20-10-4-7-17(8-5-10)14(19)13-11(16)2-1-3-12(13)18/h1-3,10,18H,4-9H2.
What are the key properties of [4-(2-bromoethoxy)piperidin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone?
[4-(2-bromoethoxy)piperidin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone has a molecular weight of 346.20 g/mol, XLogP of 2.55, 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]-(2-fluoro-6-hydroxyphenyl)methanone is sourced from PubChem (CID 107016929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).