(1R,2S)-2-(4-benzylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-ol

C21H26FNO — CID 15917977

IUPAC(1R,2S)-2-(4-benzylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-ol
SMILESC[C@@H]([C@H](O)c1ccc(F)cc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C21H26FNO/c1-16(21(24)19-7-9-20(22)10-8-19)23-13-11-18(12-14-23)15-17-5-3-2-4-6-17/h2-10,16,18,21,24H,11-15H2,1H3/t16-,21-/m0/s1
InChIKeyMJFXQINBAMQTEC-KKSFZXQISA-N
MW327.44 g/mol
LogP4.20
Rot. Bonds5

About (1R,2S)-2-(4-benzylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-ol

(1R,2S)-2-(4-benzylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-ol (PubChem CID 15917977) has the molecular formula C21H26FNO and a molecular weight of 327.44 g/mol. Its IUPAC name is (1R,2S)-2-(4-benzylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name(1R,2S)-2-(4-benzylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-ol
PubChem CID15917977
Molecular FormulaC21H26FNO
Molecular Weight327.44 g/mol
Exact Mass327.20
IUPAC Name(1R,2S)-2-(4-benzylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-ol
SMILESC[C@@H]([C@H](O)c1ccc(F)cc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C21H26FNO/c1-16(21(24)19-7-9-20(22)10-8-19)23-13-11-18(12-14-23)15-17-5-3-2-4-6-17/h2-10,16,18,21,24H,11-15H2,1H3/t16-,21-/m0/s1
InChIKeyMJFXQINBAMQTEC-KKSFZXQISA-N
XLogP4.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.44
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,2S)-2-(4-benzylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-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 (1R,2S)-2-(4-benzylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-ol?
The IUPAC name of (1R,2S)-2-(4-benzylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-ol (CID 15917977) is (1R,2S)-2-(4-benzylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-ol.
What is the SMILES notation for (1R,2S)-2-(4-benzylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-ol?
The canonical SMILES for (1R,2S)-2-(4-benzylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-ol is C[C@@H]([C@H](O)c1ccc(F)cc1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (1R,2S)-2-(4-benzylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-ol?
The InChIKey is MJFXQINBAMQTEC-KKSFZXQISA-N. The full InChI is InChI=1S/C21H26FNO/c1-16(21(24)19-7-9-20(22)10-8-19)23-13-11-18(12-14-23)15-17-5-3-2-4-6-17/h2-10,16,18,21,24H,11-15H2,1H3/t16-,21-/m0/s1.
What are the key properties of (1R,2S)-2-(4-benzylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-ol?
(1R,2S)-2-(4-benzylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-ol has a molecular weight of 327.44 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-(4-benzylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-ol is sourced from PubChem (CID 15917977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).