4-(4-Benzylpiperidin-1-yl)-1-(4-fluorophenyl)butan-1-ol

C22H28FNO — CID 9798088

IUPAC4-(4-benzylpiperidin-1-yl)-1-(4-fluorophenyl)butan-1-ol
SMILESC1CN(CCC1CC2=CC=CC=C2)CCCC(C3=CC=C(C=C3)F)O
InChIInChI=1S/C22H28FNO/c23-21-10-8-20(9-11-21)22(25)7-4-14-24-15-12-19(13-16-24)17-18-5-2-1-3-6-18/h1-3,5-6,8-11,19,22,25H,4,7,12-17H2
InChIKeyCXYXHYOECWGCQT-UHFFFAOYSA-N
MW341.50 g/mol
LogP4.60
Rot. Bonds7

About 4-(4-Benzylpiperidin-1-yl)-1-(4-fluorophenyl)butan-1-ol

4-(4-Benzylpiperidin-1-yl)-1-(4-fluorophenyl)butan-1-ol (PubChem CID 9798088) has the molecular formula C22H28FNO and a molecular weight of 341.50 g/mol. Its IUPAC name is 4-(4-benzylpiperidin-1-yl)-1-(4-fluorophenyl)butan-1-ol.

Molecular Properties

Compound Name4-(4-Benzylpiperidin-1-yl)-1-(4-fluorophenyl)butan-1-ol
PubChem CID9798088
Molecular FormulaC22H28FNO
Molecular Weight341.50 g/mol
Exact Mass341.22
IUPAC Name4-(4-benzylpiperidin-1-yl)-1-(4-fluorophenyl)butan-1-ol
SMILESC1CN(CCC1CC2=CC=CC=C2)CCCC(C3=CC=C(C=C3)F)O
InChIInChI=1S/C22H28FNO/c23-21-10-8-20(9-11-21)22(25)7-4-14-24-15-12-19(13-16-24)17-18-5-2-1-3-6-18/h1-3,5-6,8-11,19,22,25H,4,7,12-17H2
InChIKeyCXYXHYOECWGCQT-UHFFFAOYSA-N
XLogP4.60
TPSA23.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity355

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Terfenadine
CID 5405
Trihexyphenidyl
CID 5572
Pridinol
CID 4904
Trihexyphenidyl Hydrochloride
CID 66007
Diphenidol
CID 3055
Azacyclonol
CID 15723
Diphenidol Hydrochloride
CID 66266
Eliprodil
CID 60703
Glemanserin
CID 71781
4-(4-Chlorophenyl)-alpha-(4-fluorophenyl)-4-hydroxy-1-piperidinebutanol
CID 119265
Dipheridin
CID 120501
Lobelanidine
CID 442646

Frequently Asked Questions

What is the IUPAC name of 4-(4-Benzylpiperidin-1-yl)-1-(4-fluorophenyl)butan-1-ol?
The IUPAC name of 4-(4-Benzylpiperidin-1-yl)-1-(4-fluorophenyl)butan-1-ol (CID 9798088) is 4-(4-benzylpiperidin-1-yl)-1-(4-fluorophenyl)butan-1-ol.
What is the SMILES notation for 4-(4-Benzylpiperidin-1-yl)-1-(4-fluorophenyl)butan-1-ol?
The canonical SMILES for 4-(4-Benzylpiperidin-1-yl)-1-(4-fluorophenyl)butan-1-ol is C1CN(CCC1CC2=CC=CC=C2)CCCC(C3=CC=C(C=C3)F)O.
What is the InChIKey of 4-(4-Benzylpiperidin-1-yl)-1-(4-fluorophenyl)butan-1-ol?
The InChIKey is CXYXHYOECWGCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FNO/c23-21-10-8-20(9-11-21)22(25)7-4-14-24-15-12-19(13-16-24)17-18-5-2-1-3-6-18/h1-3,5-6,8-11,19,22,25H,4,7,12-17H2.
What are the key properties of 4-(4-Benzylpiperidin-1-yl)-1-(4-fluorophenyl)butan-1-ol?
4-(4-Benzylpiperidin-1-yl)-1-(4-fluorophenyl)butan-1-ol has a molecular weight of 341.50 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-Benzylpiperidin-1-yl)-1-(4-fluorophenyl)butan-1-ol is sourced from PubChem (CID 9798088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).