(1S)-1-(2,3-dichlorophenyl)-5-ethoxy-1-piperidin-3-ylpentan-1-ol

C18H27Cl2NO2 — CID 67190042

IUPAC(1S)-1-(2,3-dichlorophenyl)-5-ethoxy-1-piperidin-3-ylpentan-1-ol
SMILESCCOCCCC[C@@](O)(c1cccc(Cl)c1Cl)C1CCCNC1
InChIInChI=1S/C18H27Cl2NO2/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/t14?,18-/m0/s1
InChIKeyMWAQZHGIWNVZII-IBYPIGCZSA-N
MW360.33 g/mol
LogP4.39
Rot. Bonds8

About (1S)-1-(2,3-dichlorophenyl)-5-ethoxy-1-piperidin-3-ylpentan-1-ol

(1S)-1-(2,3-dichlorophenyl)-5-ethoxy-1-piperidin-3-ylpentan-1-ol (PubChem CID 67190042) has the molecular formula C18H27Cl2NO2 and a molecular weight of 360.33 g/mol. Its IUPAC name is (1S)-1-(2,3-dichlorophenyl)-5-ethoxy-1-piperidin-3-ylpentan-1-ol.

Molecular Properties

Compound Name(1S)-1-(2,3-dichlorophenyl)-5-ethoxy-1-piperidin-3-ylpentan-1-ol
PubChem CID67190042
Molecular FormulaC18H27Cl2NO2
Molecular Weight360.33 g/mol
Exact Mass359.14
IUPAC Name(1S)-1-(2,3-dichlorophenyl)-5-ethoxy-1-piperidin-3-ylpentan-1-ol
SMILESCCOCCCC[C@@](O)(c1cccc(Cl)c1Cl)C1CCCNC1
InChIInChI=1S/C18H27Cl2NO2/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/t14?,18-/m0/s1
InChIKeyMWAQZHGIWNVZII-IBYPIGCZSA-N
XLogP4.39
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.33
LogP ≤ 54.39
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 (1S)-1-(2,3-dichlorophenyl)-5-ethoxy-1-piperidin-3-ylpentan-1-ol?
The IUPAC name of (1S)-1-(2,3-dichlorophenyl)-5-ethoxy-1-piperidin-3-ylpentan-1-ol (CID 67190042) is (1S)-1-(2,3-dichlorophenyl)-5-ethoxy-1-piperidin-3-ylpentan-1-ol.
What is the SMILES notation for (1S)-1-(2,3-dichlorophenyl)-5-ethoxy-1-piperidin-3-ylpentan-1-ol?
The canonical SMILES for (1S)-1-(2,3-dichlorophenyl)-5-ethoxy-1-piperidin-3-ylpentan-1-ol is CCOCCCC[C@@](O)(c1cccc(Cl)c1Cl)C1CCCNC1.
What is the InChIKey of (1S)-1-(2,3-dichlorophenyl)-5-ethoxy-1-piperidin-3-ylpentan-1-ol?
The InChIKey is MWAQZHGIWNVZII-IBYPIGCZSA-N. The full InChI is InChI=1S/C18H27Cl2NO2/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/t14?,18-/m0/s1.
What are the key properties of (1S)-1-(2,3-dichlorophenyl)-5-ethoxy-1-piperidin-3-ylpentan-1-ol?
(1S)-1-(2,3-dichlorophenyl)-5-ethoxy-1-piperidin-3-ylpentan-1-ol has a molecular weight of 360.33 g/mol, XLogP of 4.39, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,3-dichlorophenyl)-5-ethoxy-1-piperidin-3-ylpentan-1-ol is sourced from PubChem (CID 67190042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).