4-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-3-fluorobenzonitrile

C21H28FN3O — CID 69354975

IUPAC4-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-3-fluorobenzonitrile
SMILESN#Cc1ccc(N2CCC(OC3CCN(C4CCC4)CC3)CC2)c(F)c1
InChIInChI=1S/C21H28FN3O/c22-20-14-16(15-23)4-5-21(20)25-12-8-19(9-13-25)26-18-6-10-24(11-7-18)17-2-1-3-17/h4-5,14,17-19H,1-3,6-13H2
InChIKeyVPMYIUDGEAIUTP-UHFFFAOYSA-N
MW357.47 g/mol
LogP3.70
Rot. Bonds4

About 4-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-3-fluorobenzonitrile

4-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-3-fluorobenzonitrile (PubChem CID 69354975) has the molecular formula C21H28FN3O and a molecular weight of 357.47 g/mol. Its IUPAC name is 4-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-3-fluorobenzonitrile
PubChem CID69354975
Molecular FormulaC21H28FN3O
Molecular Weight357.47 g/mol
Exact Mass357.22
IUPAC Name4-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-3-fluorobenzonitrile
SMILESN#Cc1ccc(N2CCC(OC3CCN(C4CCC4)CC3)CC2)c(F)c1
InChIInChI=1S/C21H28FN3O/c22-20-14-16(15-23)4-5-21(20)25-12-8-19(9-13-25)26-18-6-10-24(11-7-18)17-2-1-3-17/h4-5,14,17-19H,1-3,6-13H2
InChIKeyVPMYIUDGEAIUTP-UHFFFAOYSA-N
XLogP3.70
TPSA39.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.47
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-3-fluorobenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 394808
CID 394808
CID 892247
CID 892247
CID 71864799
CID 71864799
CID 97396256
CID 97396256
CID 97396283
CID 97396283
CID 97491858
CID 97491858
CID 118744571
CID 118744571
CID 118744582
CID 118744582
CID 1122303
CID 1122303
CID 69354506
CID 69354506
CID 21182326
CID 21182326
CID 892454
CID 892454

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-3-fluorobenzonitrile?
The IUPAC name of 4-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-3-fluorobenzonitrile (CID 69354975) is 4-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-3-fluorobenzonitrile.
What is the SMILES notation for 4-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-3-fluorobenzonitrile?
The canonical SMILES for 4-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-3-fluorobenzonitrile is N#Cc1ccc(N2CCC(OC3CCN(C4CCC4)CC3)CC2)c(F)c1.
What is the InChIKey of 4-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-3-fluorobenzonitrile?
The InChIKey is VPMYIUDGEAIUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN3O/c22-20-14-16(15-23)4-5-21(20)25-12-8-19(9-13-25)26-18-6-10-24(11-7-18)17-2-1-3-17/h4-5,14,17-19H,1-3,6-13H2.
What are the key properties of 4-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-3-fluorobenzonitrile?
4-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-3-fluorobenzonitrile has a molecular weight of 357.47 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-3-fluorobenzonitrile is sourced from PubChem (CID 69354975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).