(2-bromo-5-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone

C14H18BrFN2O — CID 63248375

IUPAC(2-bromo-5-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)c2cc(F)ccc2Br)CC1
InChIInChI=1S/C14H18BrFN2O/c1-17-9-10-4-6-18(7-5-10)14(19)12-8-11(16)2-3-13(12)15/h2-3,8,10,17H,4-7,9H2,1H3
InChIKeyYFDWYECIVLRDNH-UHFFFAOYSA-N
MW329.21 g/mol
LogP2.66
Rot. Bonds3

About (2-bromo-5-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone

(2-bromo-5-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone (PubChem CID 63248375) has the molecular formula C14H18BrFN2O and a molecular weight of 329.21 g/mol. Its IUPAC name is (2-bromo-5-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-bromo-5-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
PubChem CID63248375
Molecular FormulaC14H18BrFN2O
Molecular Weight329.21 g/mol
Exact Mass328.06
IUPAC Name(2-bromo-5-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)c2cc(F)ccc2Br)CC1
InChIInChI=1S/C14H18BrFN2O/c1-17-9-10-4-6-18(7-5-10)14(19)12-8-11(16)2-3-13(12)15/h2-3,8,10,17H,4-7,9H2,1H3
InChIKeyYFDWYECIVLRDNH-UHFFFAOYSA-N
XLogP2.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.21
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-difluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119543787
(2-bromo-5-chlorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119546124
(2-bromo-5-fluorophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
CID 119625303
(2-chloro-4-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 55173736
(5-bromo-2-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 55174313
(2-bromo-5-fluorophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 43430553
(2-bromo-5-fluorophenyl)-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124569856
(5-fluoro-2-methoxyphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119542164
1-[4-(2-bromo-5-fluorobenzoyl)piperazin-1-yl]ethanone
CID 24692676
N-[1-(2-bromo-5-fluorobenzoyl)piperidin-4-yl]methanesulfonamide
CID 60706031
(2-bromo-5-fluorophenyl)-[3-(2-chloroethyl)pyrrolidin-1-yl]methanone
CID 114801371
(2-bromo-5-fluorophenyl)-pyrrolidin-1-ylmethanone
CID 24709222

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-bromo-5-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone (CID 63248375) is (2-bromo-5-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-bromo-5-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-bromo-5-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone is CNCC1CCN(C(=O)c2cc(F)ccc2Br)CC1.
What is the InChIKey of (2-bromo-5-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is YFDWYECIVLRDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN2O/c1-17-9-10-4-6-18(7-5-10)14(19)12-8-11(16)2-3-13(12)15/h2-3,8,10,17H,4-7,9H2,1H3.
What are the key properties of (2-bromo-5-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone?
(2-bromo-5-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 329.21 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 63248375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).