1-(4-fluorophenyl)-4-[4-(2-methylfuro[3,2-c]pyridin-4-yl)piperazin-1-yl]butan-1-ol;hydrochloride

C22H27ClFN3O2 — CID 45263983

IUPAC1-(4-fluorophenyl)-4-[4-(2-methylfuro[3,2-c]pyridin-4-yl)piperazin-1-yl]butan-1-ol;hydrochloride
SMILESCc1cc2c(N3CCN(CCCC(O)c4ccc(F)cc4)CC3)nccc2o1.Cl
InChIInChI=1S/C22H26FN3O2.ClH/c1-16-15-19-21(28-16)8-9-24-22(19)26-13-11-25(12-14-26)10-2-3-20(27)17-4-6-18(23)7-5-17;/h4-9,15,20,27H,2-3,10-14H2,1H3;1H
InChIKeyACVXDDWWINLPPK-UHFFFAOYSA-N
MW419.93 g/mol
LogP4.33
Rot. Bonds6

About 1-(4-fluorophenyl)-4-[4-(2-methylfuro[3,2-c]pyridin-4-yl)piperazin-1-yl]butan-1-ol;hydrochloride

1-(4-fluorophenyl)-4-[4-(2-methylfuro[3,2-c]pyridin-4-yl)piperazin-1-yl]butan-1-ol;hydrochloride (PubChem CID 45263983) has the molecular formula C22H27ClFN3O2 and a molecular weight of 419.93 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[4-(2-methylfuro[3,2-c]pyridin-4-yl)piperazin-1-yl]butan-1-ol;hydrochloride.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[4-(2-methylfuro[3,2-c]pyridin-4-yl)piperazin-1-yl]butan-1-ol;hydrochloride
PubChem CID45263983
Molecular FormulaC22H27ClFN3O2
Molecular Weight419.93 g/mol
Exact Mass419.18
IUPAC Name1-(4-fluorophenyl)-4-[4-(2-methylfuro[3,2-c]pyridin-4-yl)piperazin-1-yl]butan-1-ol;hydrochloride
SMILESCc1cc2c(N3CCN(CCCC(O)c4ccc(F)cc4)CC3)nccc2o1.Cl
InChIInChI=1S/C22H26FN3O2.ClH/c1-16-15-19-21(28-16)8-9-24-22(19)26-13-11-25(12-14-26)10-2-3-20(27)17-4-6-18(23)7-5-17;/h4-9,15,20,27H,2-3,10-14H2,1H3;1H
InChIKeyACVXDDWWINLPPK-UHFFFAOYSA-N
XLogP4.33
TPSA52.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.93
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[4-(2-methylfuro[3,2-c]pyridin-4-yl)piperazin-1-yl]butan-1-ol;hydrochloride?
The IUPAC name of 1-(4-fluorophenyl)-4-[4-(2-methylfuro[3,2-c]pyridin-4-yl)piperazin-1-yl]butan-1-ol;hydrochloride (CID 45263983) is 1-(4-fluorophenyl)-4-[4-(2-methylfuro[3,2-c]pyridin-4-yl)piperazin-1-yl]butan-1-ol;hydrochloride.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[4-(2-methylfuro[3,2-c]pyridin-4-yl)piperazin-1-yl]butan-1-ol;hydrochloride?
The canonical SMILES for 1-(4-fluorophenyl)-4-[4-(2-methylfuro[3,2-c]pyridin-4-yl)piperazin-1-yl]butan-1-ol;hydrochloride is Cc1cc2c(N3CCN(CCCC(O)c4ccc(F)cc4)CC3)nccc2o1.Cl.
What is the InChIKey of 1-(4-fluorophenyl)-4-[4-(2-methylfuro[3,2-c]pyridin-4-yl)piperazin-1-yl]butan-1-ol;hydrochloride?
The InChIKey is ACVXDDWWINLPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O2.ClH/c1-16-15-19-21(28-16)8-9-24-22(19)26-13-11-25(12-14-26)10-2-3-20(27)17-4-6-18(23)7-5-17;/h4-9,15,20,27H,2-3,10-14H2,1H3;1H.
What are the key properties of 1-(4-fluorophenyl)-4-[4-(2-methylfuro[3,2-c]pyridin-4-yl)piperazin-1-yl]butan-1-ol;hydrochloride?
1-(4-fluorophenyl)-4-[4-(2-methylfuro[3,2-c]pyridin-4-yl)piperazin-1-yl]butan-1-ol;hydrochloride has a molecular weight of 419.93 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[4-(2-methylfuro[3,2-c]pyridin-4-yl)piperazin-1-yl]butan-1-ol;hydrochloride is sourced from PubChem (CID 45263983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).