4-(4-bromophenyl)-1-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperidin-4-ol

C19H24BrNO4 — CID 3754056

IUPAC4-(4-bromophenyl)-1-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperidin-4-ol
SMILESOC(COCc1ccco1)CN1CCC(O)(c2ccc(Br)cc2)CC1
InChIInChI=1S/C19H24BrNO4/c20-16-5-3-15(4-6-16)19(23)7-9-21(10-8-19)12-17(22)13-24-14-18-2-1-11-25-18/h1-6,11,17,22-23H,7-10,12-14H2
InChIKeyKJXBXOQWOAFOKL-UHFFFAOYSA-N
MW410.31 g/mol
LogP2.90
Rot. Bonds7

About 4-(4-bromophenyl)-1-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperidin-4-ol

4-(4-bromophenyl)-1-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperidin-4-ol (PubChem CID 3754056) has the molecular formula C19H24BrNO4 and a molecular weight of 410.31 g/mol. Its IUPAC name is 4-(4-bromophenyl)-1-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(4-bromophenyl)-1-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperidin-4-ol
PubChem CID3754056
Molecular FormulaC19H24BrNO4
Molecular Weight410.31 g/mol
Exact Mass409.09
IUPAC Name4-(4-bromophenyl)-1-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperidin-4-ol
SMILESOC(COCc1ccco1)CN1CCC(O)(c2ccc(Br)cc2)CC1
InChIInChI=1S/C19H24BrNO4/c20-16-5-3-15(4-6-16)19(23)7-9-21(10-8-19)12-17(22)13-24-14-18-2-1-11-25-18/h1-6,11,17,22-23H,7-10,12-14H2
InChIKeyKJXBXOQWOAFOKL-UHFFFAOYSA-N
XLogP2.90
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.31
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(8-azaspiro[4.5]decan-8-yl)-3-(furan-2-ylmethoxy)propan-2-ol
CID 111437430
(2S)-1-(furan-2-ylmethoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 942774
1-(furan-2-ylmethoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 2771920
4-[4-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperazin-1-yl]phenol
CID 3744667
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(furan-2-ylmethoxy)propan-2-ol
CID 3681676
1-(furan-2-ylmethoxy)-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-ol
CID 111116661
(2R)-1-(furan-2-ylmethoxy)-3-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95313186
1-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-N,N-dimethylpiperidine-4-carboxamide
CID 110882093
1-[[(1S)-1-(4-bromophenyl)ethyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 81352394
4-(4-bromophenyl)-1-[(2S)-2-hydroxy-3-(1H-indol-4-yloxy)propyl]piperidin-4-ol
CID 22867041
(2S)-1-(furan-2-ylmethoxy)-3-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95271858
3-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 51223013

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-1-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperidin-4-ol?
The IUPAC name of 4-(4-bromophenyl)-1-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperidin-4-ol (CID 3754056) is 4-(4-bromophenyl)-1-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperidin-4-ol.
What is the SMILES notation for 4-(4-bromophenyl)-1-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperidin-4-ol?
The canonical SMILES for 4-(4-bromophenyl)-1-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperidin-4-ol is OC(COCc1ccco1)CN1CCC(O)(c2ccc(Br)cc2)CC1.
What is the InChIKey of 4-(4-bromophenyl)-1-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperidin-4-ol?
The InChIKey is KJXBXOQWOAFOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrNO4/c20-16-5-3-15(4-6-16)19(23)7-9-21(10-8-19)12-17(22)13-24-14-18-2-1-11-25-18/h1-6,11,17,22-23H,7-10,12-14H2.
What are the key properties of 4-(4-bromophenyl)-1-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperidin-4-ol?
4-(4-bromophenyl)-1-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperidin-4-ol has a molecular weight of 410.31 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-1-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperidin-4-ol is sourced from PubChem (CID 3754056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).