(1-methylpiperidin-4-yl) 2-(4-bromophenoxy)acetate;hydrochloride

C14H19BrClNO3 — CID 2948449

IUPAC(1-methylpiperidin-4-yl) 2-(4-bromophenoxy)acetate;hydrochloride
SMILESCN1CCC(OC(=O)COc2ccc(Br)cc2)CC1.Cl
InChIInChI=1S/C14H18BrNO3.ClH/c1-16-8-6-13(7-9-16)19-14(17)10-18-12-4-2-11(15)3-5-12;/h2-5,13H,6-10H2,1H3;1H
InChIKeyMPSYBOCRLPABOZ-UHFFFAOYSA-N
MW364.67 g/mol
LogP2.89
Rot. Bonds4

About (1-methylpiperidin-4-yl) 2-(4-bromophenoxy)acetate;hydrochloride

(1-methylpiperidin-4-yl) 2-(4-bromophenoxy)acetate;hydrochloride (PubChem CID 2948449) has the molecular formula C14H19BrClNO3 and a molecular weight of 364.67 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl) 2-(4-bromophenoxy)acetate;hydrochloride.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl) 2-(4-bromophenoxy)acetate;hydrochloride
PubChem CID2948449
Molecular FormulaC14H19BrClNO3
Molecular Weight364.67 g/mol
Exact Mass363.02
IUPAC Name(1-methylpiperidin-4-yl) 2-(4-bromophenoxy)acetate;hydrochloride
SMILESCN1CCC(OC(=O)COc2ccc(Br)cc2)CC1.Cl
InChIInChI=1S/C14H18BrNO3.ClH/c1-16-8-6-13(7-9-16)19-14(17)10-18-12-4-2-11(15)3-5-12;/h2-5,13H,6-10H2,1H3;1H
InChIKeyMPSYBOCRLPABOZ-UHFFFAOYSA-N
XLogP2.89
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.67
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Morpholin-4-yl)-2-oxoethyl (4-bromophenoxy)acetate
CID 1505704
1-[4-(4-Bromophenoxy)butyl]piperidine
CID 2057710
(1-Methylpiperidin-4-yl) 2-(4-fluorophenoxy)acetate;hydrochloride
CID 2947737
4-[5-(4-Bromophenoxy)pentyl]morpholine;oxalic acid
CID 16187884
2-(Piperidin-1-YL)ethyl 2-(4-bromophenoxy)acetate hydrochloride
CID 23724247
1-[2-(4-Bromophenoxy)ethyl]piperidine
CID 867195
4-{2-[2-(4-Bromophenoxy)ethoxy]ethyl}morpholine
CID 2245253
1-[4-(4-Bromophenoxy)butyl]-4-methylpiperazine oxalate
CID 2884952
1-{4-[3-(4-Bromo-phenoxy)-2-hydroxy-propyl]-piperazin-1-yl}-ethanone
CID 2899203
1-[4-(3-Bromophenoxy)butyl]piperidine oxalate
CID 2922788
1-[2-(3-Bromophenoxy)ethyl]piperidine oxalate
CID 2924023
1-[2-(4-Bromophenoxy)ethyl]-3,5-dimethylpiperidine oxalate
CID 2934453

Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl) 2-(4-bromophenoxy)acetate;hydrochloride?
The IUPAC name of (1-methylpiperidin-4-yl) 2-(4-bromophenoxy)acetate;hydrochloride (CID 2948449) is (1-methylpiperidin-4-yl) 2-(4-bromophenoxy)acetate;hydrochloride.
What is the SMILES notation for (1-methylpiperidin-4-yl) 2-(4-bromophenoxy)acetate;hydrochloride?
The canonical SMILES for (1-methylpiperidin-4-yl) 2-(4-bromophenoxy)acetate;hydrochloride is CN1CCC(OC(=O)COc2ccc(Br)cc2)CC1.Cl.
What is the InChIKey of (1-methylpiperidin-4-yl) 2-(4-bromophenoxy)acetate;hydrochloride?
The InChIKey is MPSYBOCRLPABOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO3.ClH/c1-16-8-6-13(7-9-16)19-14(17)10-18-12-4-2-11(15)3-5-12;/h2-5,13H,6-10H2,1H3;1H.
What are the key properties of (1-methylpiperidin-4-yl) 2-(4-bromophenoxy)acetate;hydrochloride?
(1-methylpiperidin-4-yl) 2-(4-bromophenoxy)acetate;hydrochloride has a molecular weight of 364.67 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl) 2-(4-bromophenoxy)acetate;hydrochloride is sourced from PubChem (CID 2948449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).