ethyl 4-[4-(3-piperidin-1-ylpropoxy)phenoxy]piperidine-1-carboxylate

C22H34N2O4 — CID 86298782

IUPACethyl 4-[4-(3-piperidin-1-ylpropoxy)phenoxy]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Oc2ccc(OCCCN3CCCCC3)cc2)CC1
InChIInChI=1S/C22H34N2O4/c1-2-26-22(25)24-16-11-21(12-17-24)28-20-9-7-19(8-10-20)27-18-6-15-23-13-4-3-5-14-23/h7-10,21H,2-6,11-18H2,1H3
InChIKeyLOKSDOQAKIKHPY-UHFFFAOYSA-N
MW390.52 g/mol
LogP3.94
Rot. Bonds8

About ethyl 4-[4-(3-piperidin-1-ylpropoxy)phenoxy]piperidine-1-carboxylate

ethyl 4-[4-(3-piperidin-1-ylpropoxy)phenoxy]piperidine-1-carboxylate (PubChem CID 86298782) has the molecular formula C22H34N2O4 and a molecular weight of 390.52 g/mol. Its IUPAC name is ethyl 4-[4-(3-piperidin-1-ylpropoxy)phenoxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-(3-piperidin-1-ylpropoxy)phenoxy]piperidine-1-carboxylate
PubChem CID86298782
Molecular FormulaC22H34N2O4
Molecular Weight390.52 g/mol
Exact Mass390.25
IUPAC Nameethyl 4-[4-(3-piperidin-1-ylpropoxy)phenoxy]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Oc2ccc(OCCCN3CCCCC3)cc2)CC1
InChIInChI=1S/C22H34N2O4/c1-2-26-22(25)24-16-11-21(12-17-24)28-20-9-7-19(8-10-20)27-18-6-15-23-13-4-3-5-14-23/h7-10,21H,2-6,11-18H2,1H3
InChIKeyLOKSDOQAKIKHPY-UHFFFAOYSA-N
XLogP3.94
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 ethyl 4-[4-(3-piperidin-1-ylpropoxy)phenoxy]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[4-(3-piperidin-1-ylpropoxy)phenoxy]piperidine-1-carboxylate (CID 86298782) is ethyl 4-[4-(3-piperidin-1-ylpropoxy)phenoxy]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[4-(3-piperidin-1-ylpropoxy)phenoxy]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[4-(3-piperidin-1-ylpropoxy)phenoxy]piperidine-1-carboxylate is CCOC(=O)N1CCC(Oc2ccc(OCCCN3CCCCC3)cc2)CC1.
What is the InChIKey of ethyl 4-[4-(3-piperidin-1-ylpropoxy)phenoxy]piperidine-1-carboxylate?
The InChIKey is LOKSDOQAKIKHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O4/c1-2-26-22(25)24-16-11-21(12-17-24)28-20-9-7-19(8-10-20)27-18-6-15-23-13-4-3-5-14-23/h7-10,21H,2-6,11-18H2,1H3.
What are the key properties of ethyl 4-[4-(3-piperidin-1-ylpropoxy)phenoxy]piperidine-1-carboxylate?
ethyl 4-[4-(3-piperidin-1-ylpropoxy)phenoxy]piperidine-1-carboxylate has a molecular weight of 390.52 g/mol, XLogP of 3.94, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(3-piperidin-1-ylpropoxy)phenoxy]piperidine-1-carboxylate is sourced from PubChem (CID 86298782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).