1-(3-chloro-2-fluorophenyl)-5-ethoxy-1-piperidin-3-ylpentan-1-ol

C18H27ClFNO2 — CID 67191270

IUPAC1-(3-chloro-2-fluorophenyl)-5-ethoxy-1-piperidin-3-ylpentan-1-ol
SMILESCCOCCCCC(O)(c1cccc(Cl)c1F)C1CCCNC1
InChIInChI=1S/C18H27ClFNO2/c1-2-23-12-4-3-10-18(22,14-7-6-11-21-13-14)15-8-5-9-16(19)17(15)20/h5,8-9,14,21-22H,2-4,6-7,10-13H2,1H3
InChIKeyUONNMLCCHNTRDU-UHFFFAOYSA-N
MW343.87 g/mol
LogP3.87
Rot. Bonds8

About 1-(3-chloro-2-fluorophenyl)-5-ethoxy-1-piperidin-3-ylpentan-1-ol

1-(3-chloro-2-fluorophenyl)-5-ethoxy-1-piperidin-3-ylpentan-1-ol (PubChem CID 67191270) has the molecular formula C18H27ClFNO2 and a molecular weight of 343.87 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-5-ethoxy-1-piperidin-3-ylpentan-1-ol.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-5-ethoxy-1-piperidin-3-ylpentan-1-ol
PubChem CID67191270
Molecular FormulaC18H27ClFNO2
Molecular Weight343.87 g/mol
Exact Mass343.17
IUPAC Name1-(3-chloro-2-fluorophenyl)-5-ethoxy-1-piperidin-3-ylpentan-1-ol
SMILESCCOCCCCC(O)(c1cccc(Cl)c1F)C1CCCNC1
InChIInChI=1S/C18H27ClFNO2/c1-2-23-12-4-3-10-18(22,14-7-6-11-21-13-14)15-8-5-9-16(19)17(15)20/h5,8-9,14,21-22H,2-4,6-7,10-13H2,1H3
InChIKeyUONNMLCCHNTRDU-UHFFFAOYSA-N
XLogP3.87
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.87
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-5-ethoxy-1-piperidin-3-ylpentan-1-ol?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-5-ethoxy-1-piperidin-3-ylpentan-1-ol (CID 67191270) is 1-(3-chloro-2-fluorophenyl)-5-ethoxy-1-piperidin-3-ylpentan-1-ol.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-5-ethoxy-1-piperidin-3-ylpentan-1-ol?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-5-ethoxy-1-piperidin-3-ylpentan-1-ol is CCOCCCCC(O)(c1cccc(Cl)c1F)C1CCCNC1.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-5-ethoxy-1-piperidin-3-ylpentan-1-ol?
The InChIKey is UONNMLCCHNTRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClFNO2/c1-2-23-12-4-3-10-18(22,14-7-6-11-21-13-14)15-8-5-9-16(19)17(15)20/h5,8-9,14,21-22H,2-4,6-7,10-13H2,1H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-5-ethoxy-1-piperidin-3-ylpentan-1-ol?
1-(3-chloro-2-fluorophenyl)-5-ethoxy-1-piperidin-3-ylpentan-1-ol has a molecular weight of 343.87 g/mol, XLogP of 3.87, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-5-ethoxy-1-piperidin-3-ylpentan-1-ol is sourced from PubChem (CID 67191270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).