1-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-2-ol

C20H29FN2O2 — CID 111701834

IUPAC1-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-2-ol
SMILESOC(COc1ccc(F)cc1)CN1CCN(C2CC3CCC2C3)CC1
InChIInChI=1S/C20H29FN2O2/c21-17-3-5-19(6-4-17)25-14-18(24)13-22-7-9-23(10-8-22)20-12-15-1-2-16(20)11-15/h3-6,15-16,18,20,24H,1-2,7-14H2
InChIKeyBTUKSYGAFSJEGP-UHFFFAOYSA-N
MW348.46 g/mol
LogP2.37
Rot. Bonds6

About 1-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-2-ol

1-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-2-ol (PubChem CID 111701834) has the molecular formula C20H29FN2O2 and a molecular weight of 348.46 g/mol. Its IUPAC name is 1-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-2-ol
PubChem CID111701834
Molecular FormulaC20H29FN2O2
Molecular Weight348.46 g/mol
Exact Mass348.22
IUPAC Name1-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-2-ol
SMILESOC(COc1ccc(F)cc1)CN1CCN(C2CC3CCC2C3)CC1
InChIInChI=1S/C20H29FN2O2/c21-17-3-5-19(6-4-17)25-14-18(24)13-22-7-9-23(10-8-22)20-12-15-1-2-16(20)11-15/h3-6,15-16,18,20,24H,1-2,7-14H2
InChIKeyBTUKSYGAFSJEGP-UHFFFAOYSA-N
XLogP2.37
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.46
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-2-ol with MolForge

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Related Compounds

2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-1-(2,6-difluorophenyl)ethanol
CID 111701838
1-(2-bicyclo[2.2.1]heptanyl)-4-(2,2-difluoroethyl)piperazine
CID 71979060
(2R)-1-(4-cyclohexylpiperazin-1-yl)-3-[4-[(2R)-3-(4-cyclohexylpiperazin-1-yl)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 7155116
(2R)-1-(4-cyclohexylphenoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 7109324
2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-1-phenylethanol
CID 111701832
1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-phenoxypropan-2-ol
CID 141041914
(2R)-1-[[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]methoxy]-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 98184757
1-(4-chlorophenoxy)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 3859453
1-(1,4-diazepan-1-yl)-3-(4-fluorophenoxy)propan-2-ol
CID 19005868
(2S)-1-(4-bromophenoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 34066082
1-(4-chlorophenoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol dichloride
CID 21236715
1-[1-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]piperidin-4-yl]imidazolidin-2-one
CID 94392487

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-2-ol?
The IUPAC name of 1-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-2-ol (CID 111701834) is 1-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-2-ol.
What is the SMILES notation for 1-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-2-ol?
The canonical SMILES for 1-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-2-ol is OC(COc1ccc(F)cc1)CN1CCN(C2CC3CCC2C3)CC1.
What is the InChIKey of 1-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-2-ol?
The InChIKey is BTUKSYGAFSJEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN2O2/c21-17-3-5-19(6-4-17)25-14-18(24)13-22-7-9-23(10-8-22)20-12-15-1-2-16(20)11-15/h3-6,15-16,18,20,24H,1-2,7-14H2.
What are the key properties of 1-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-2-ol?
1-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-2-ol has a molecular weight of 348.46 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-2-ol is sourced from PubChem (CID 111701834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).