1-(2-bromophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol

C15H22BrNO2 — CID 4085306

IUPAC1-(2-bromophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol
SMILESCC1CCN(CC(O)COc2ccccc2Br)CC1
InChIInChI=1S/C15H22BrNO2/c1-12-6-8-17(9-7-12)10-13(18)11-19-15-5-3-2-4-14(15)16/h2-5,12-13,18H,6-11H2,1H3
InChIKeyBAZHRJRRYOSFAK-UHFFFAOYSA-N
MW328.25 g/mol
LogP2.92
Rot. Bonds5

About 1-(2-bromophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol

1-(2-bromophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol (PubChem CID 4085306) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 1-(2-bromophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-bromophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol
PubChem CID4085306
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name1-(2-bromophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol
SMILESCC1CCN(CC(O)COc2ccccc2Br)CC1
InChIInChI=1S/C15H22BrNO2/c1-12-6-8-17(9-7-12)10-13(18)11-19-15-5-3-2-4-14(15)16/h2-5,12-13,18H,6-11H2,1H3
InChIKeyBAZHRJRRYOSFAK-UHFFFAOYSA-N
XLogP2.92
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 18823227
(2S)-1-(2-methylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 769296
(2R)-1-(2-bromophenoxy)-3-piperidin-1-ylpropan-2-ol
CID 808358
1-(2-bromophenoxy)-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride
CID 2914509
1-(2-fluorophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride
CID 45126222
(2S)-1-(2-bromophenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 34066317
ethyl 4-[3-(2-bromophenoxy)-2-hydroxypropyl]piperazine-1-carboxylate
CID 4728847
1-(4-methylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 2939361
(2S)-1-(2-bromophenoxy)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 34207169
(2R)-1-(2-bromophenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 34066311
(2R)-1-(4-methylpiperidin-1-yl)-3-[2-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-ol
CID 97243462
1-(2,6-dimethylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol chloride
CID 21237803

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol?
The IUPAC name of 1-(2-bromophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol (CID 4085306) is 1-(2-bromophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-(2-bromophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol?
The canonical SMILES for 1-(2-bromophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol is CC1CCN(CC(O)COc2ccccc2Br)CC1.
What is the InChIKey of 1-(2-bromophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol?
The InChIKey is BAZHRJRRYOSFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-12-6-8-17(9-7-12)10-13(18)11-19-15-5-3-2-4-14(15)16/h2-5,12-13,18H,6-11H2,1H3.
What are the key properties of 1-(2-bromophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol?
1-(2-bromophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol has a molecular weight of 328.25 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 4085306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).