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

C21H25ClFN3O2 — CID 45259315

IUPAC1-(4-fluorophenyl)-4-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)butan-1-ol;hydrochloride
SMILESCl.OC(CCCN1CCN(c2nccc3occc23)CC1)c1ccc(F)cc1
InChIInChI=1S/C21H24FN3O2.ClH/c22-17-5-3-16(4-6-17)19(26)2-1-10-24-11-13-25(14-12-24)21-18-8-15-27-20(18)7-9-23-21;/h3-9,15,19,26H,1-2,10-14H2;1H
InChIKeyVNCIDFWFILQLQX-UHFFFAOYSA-N
MW405.90 g/mol
LogP4.02
Rot. Bonds6

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

1-(4-fluorophenyl)-4-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)butan-1-ol;hydrochloride (PubChem CID 45259315) has the molecular formula C21H25ClFN3O2 and a molecular weight of 405.90 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)butan-1-ol;hydrochloride.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)butan-1-ol;hydrochloride
PubChem CID45259315
Molecular FormulaC21H25ClFN3O2
Molecular Weight405.90 g/mol
Exact Mass405.16
IUPAC Name1-(4-fluorophenyl)-4-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)butan-1-ol;hydrochloride
SMILESCl.OC(CCCN1CCN(c2nccc3occc23)CC1)c1ccc(F)cc1
InChIInChI=1S/C21H24FN3O2.ClH/c22-17-5-3-16(4-6-17)19(26)2-1-10-24-11-13-25(14-12-24)21-18-8-15-27-20(18)7-9-23-21;/h3-9,15,19,26H,1-2,10-14H2;1H
InChIKeyVNCIDFWFILQLQX-UHFFFAOYSA-N
XLogP4.02
TPSA52.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.90
LogP ≤ 54.02
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-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)butan-1-ol;hydrochloride?
The IUPAC name of 1-(4-fluorophenyl)-4-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)butan-1-ol;hydrochloride (CID 45259315) is 1-(4-fluorophenyl)-4-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)butan-1-ol;hydrochloride.
What is the SMILES notation for 1-(4-fluorophenyl)-4-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)butan-1-ol;hydrochloride?
The canonical SMILES for 1-(4-fluorophenyl)-4-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)butan-1-ol;hydrochloride is Cl.OC(CCCN1CCN(c2nccc3occc23)CC1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)butan-1-ol;hydrochloride?
The InChIKey is VNCIDFWFILQLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2.ClH/c22-17-5-3-16(4-6-17)19(26)2-1-10-24-11-13-25(14-12-24)21-18-8-15-27-20(18)7-9-23-21;/h3-9,15,19,26H,1-2,10-14H2;1H.
What are the key properties of 1-(4-fluorophenyl)-4-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)butan-1-ol;hydrochloride?
1-(4-fluorophenyl)-4-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)butan-1-ol;hydrochloride has a molecular weight of 405.90 g/mol, XLogP of 4.02, 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-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)butan-1-ol;hydrochloride is sourced from PubChem (CID 45259315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).