1-(4-benzylpiperidin-1-yl)-3-(2-chloro-4-fluorophenoxy)propan-2-ol

C21H25ClFNO2 — CID 4166081

IUPAC1-(4-benzylpiperidin-1-yl)-3-(2-chloro-4-fluorophenoxy)propan-2-ol
SMILESOC(COc1ccc(F)cc1Cl)CN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C21H25ClFNO2/c22-20-13-18(23)6-7-21(20)26-15-19(25)14-24-10-8-17(9-11-24)12-16-4-2-1-3-5-16/h1-7,13,17,19,25H,8-12,14-15H2
InChIKeyOLUMAWOALAGELM-UHFFFAOYSA-N
MW377.89 g/mol
LogP4.17
Rot. Bonds7

About 1-(4-benzylpiperidin-1-yl)-3-(2-chloro-4-fluorophenoxy)propan-2-ol

1-(4-benzylpiperidin-1-yl)-3-(2-chloro-4-fluorophenoxy)propan-2-ol (PubChem CID 4166081) has the molecular formula C21H25ClFNO2 and a molecular weight of 377.89 g/mol. Its IUPAC name is 1-(4-benzylpiperidin-1-yl)-3-(2-chloro-4-fluorophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(4-benzylpiperidin-1-yl)-3-(2-chloro-4-fluorophenoxy)propan-2-ol
PubChem CID4166081
Molecular FormulaC21H25ClFNO2
Molecular Weight377.89 g/mol
Exact Mass377.16
IUPAC Name1-(4-benzylpiperidin-1-yl)-3-(2-chloro-4-fluorophenoxy)propan-2-ol
SMILESOC(COc1ccc(F)cc1Cl)CN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C21H25ClFNO2/c22-20-13-18(23)6-7-21(20)26-15-19(25)14-24-10-8-17(9-11-24)12-16-4-2-1-3-5-16/h1-7,13,17,19,25H,8-12,14-15H2
InChIKeyOLUMAWOALAGELM-UHFFFAOYSA-N
XLogP4.17
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.89
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperidin-1-yl)-3-(2-chloro-4-fluorophenoxy)propan-2-ol?
The IUPAC name of 1-(4-benzylpiperidin-1-yl)-3-(2-chloro-4-fluorophenoxy)propan-2-ol (CID 4166081) is 1-(4-benzylpiperidin-1-yl)-3-(2-chloro-4-fluorophenoxy)propan-2-ol.
What is the SMILES notation for 1-(4-benzylpiperidin-1-yl)-3-(2-chloro-4-fluorophenoxy)propan-2-ol?
The canonical SMILES for 1-(4-benzylpiperidin-1-yl)-3-(2-chloro-4-fluorophenoxy)propan-2-ol is OC(COc1ccc(F)cc1Cl)CN1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperidin-1-yl)-3-(2-chloro-4-fluorophenoxy)propan-2-ol?
The InChIKey is OLUMAWOALAGELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClFNO2/c22-20-13-18(23)6-7-21(20)26-15-19(25)14-24-10-8-17(9-11-24)12-16-4-2-1-3-5-16/h1-7,13,17,19,25H,8-12,14-15H2.
What are the key properties of 1-(4-benzylpiperidin-1-yl)-3-(2-chloro-4-fluorophenoxy)propan-2-ol?
1-(4-benzylpiperidin-1-yl)-3-(2-chloro-4-fluorophenoxy)propan-2-ol has a molecular weight of 377.89 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperidin-1-yl)-3-(2-chloro-4-fluorophenoxy)propan-2-ol is sourced from PubChem (CID 4166081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).