4-(4-chlorophenyl)-1-[2-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]ethyl]piperidin-4-ol

C22H25ClFNO — CID 155548481

IUPAC4-(4-chlorophenyl)-1-[2-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]ethyl]piperidin-4-ol
SMILESOC1(c2ccc(Cl)cc2)CCN(CC[C@H]2C[C@H]2c2ccc(F)cc2)CC1
InChIInChI=1S/C22H25ClFNO/c23-19-5-3-18(4-6-19)22(26)10-13-25(14-11-22)12-9-17-15-21(17)16-1-7-20(24)8-2-16/h1-8,17,21,26H,9-15H2/t17-,21-/m0/s1
InChIKeyXTZOWCVPOQNSNK-UWJYYQICSA-N
MW373.90 g/mol
LogP4.96
Rot. Bonds5

About 4-(4-chlorophenyl)-1-[2-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]ethyl]piperidin-4-ol

4-(4-chlorophenyl)-1-[2-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]ethyl]piperidin-4-ol (PubChem CID 155548481) has the molecular formula C22H25ClFNO and a molecular weight of 373.90 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-[2-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]ethyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-[2-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]ethyl]piperidin-4-ol
PubChem CID155548481
Molecular FormulaC22H25ClFNO
Molecular Weight373.90 g/mol
Exact Mass373.16
IUPAC Name4-(4-chlorophenyl)-1-[2-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]ethyl]piperidin-4-ol
SMILESOC1(c2ccc(Cl)cc2)CCN(CC[C@H]2C[C@H]2c2ccc(F)cc2)CC1
InChIInChI=1S/C22H25ClFNO/c23-19-5-3-18(4-6-19)22(26)10-13-25(14-11-22)12-9-17-15-21(17)16-1-7-20(24)8-2-16/h1-8,17,21,26H,9-15H2/t17-,21-/m0/s1
InChIKeyXTZOWCVPOQNSNK-UWJYYQICSA-N
XLogP4.96
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.90
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(4-chlorophenyl)-1-[2-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]ethyl]piperidin-4-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-[2-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]ethyl]piperidin-4-ol?
The IUPAC name of 4-(4-chlorophenyl)-1-[2-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]ethyl]piperidin-4-ol (CID 155548481) is 4-(4-chlorophenyl)-1-[2-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]ethyl]piperidin-4-ol.
What is the SMILES notation for 4-(4-chlorophenyl)-1-[2-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]ethyl]piperidin-4-ol?
The canonical SMILES for 4-(4-chlorophenyl)-1-[2-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]ethyl]piperidin-4-ol is OC1(c2ccc(Cl)cc2)CCN(CC[C@H]2C[C@H]2c2ccc(F)cc2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-1-[2-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]ethyl]piperidin-4-ol?
The InChIKey is XTZOWCVPOQNSNK-UWJYYQICSA-N. The full InChI is InChI=1S/C22H25ClFNO/c23-19-5-3-18(4-6-19)22(26)10-13-25(14-11-22)12-9-17-15-21(17)16-1-7-20(24)8-2-16/h1-8,17,21,26H,9-15H2/t17-,21-/m0/s1.
What are the key properties of 4-(4-chlorophenyl)-1-[2-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]ethyl]piperidin-4-ol?
4-(4-chlorophenyl)-1-[2-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]ethyl]piperidin-4-ol has a molecular weight of 373.90 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-[2-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]ethyl]piperidin-4-ol is sourced from PubChem (CID 155548481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).