2-[1-[3-(4-aminophenoxy)propyl]piperidin-4-yl]oxyethanol

C16H26N2O3 — CID 82012443

IUPAC2-[1-[3-(4-aminophenoxy)propyl]piperidin-4-yl]oxyethanol
SMILESNc1ccc(OCCCN2CCC(OCCO)CC2)cc1
InChIInChI=1S/C16H26N2O3/c17-14-2-4-15(5-3-14)20-12-1-8-18-9-6-16(7-10-18)21-13-11-19/h2-5,16,19H,1,6-13,17H2
InChIKeyMQRUYVMSTQUGRY-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.51
Rot. Bonds8

About 2-[1-[3-(4-aminophenoxy)propyl]piperidin-4-yl]oxyethanol

2-[1-[3-(4-aminophenoxy)propyl]piperidin-4-yl]oxyethanol (PubChem CID 82012443) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 2-[1-[3-(4-aminophenoxy)propyl]piperidin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-[3-(4-aminophenoxy)propyl]piperidin-4-yl]oxyethanol
PubChem CID82012443
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name2-[1-[3-(4-aminophenoxy)propyl]piperidin-4-yl]oxyethanol
SMILESNc1ccc(OCCCN2CCC(OCCO)CC2)cc1
InChIInChI=1S/C16H26N2O3/c17-14-2-4-15(5-3-14)20-12-1-8-18-9-6-16(7-10-18)21-13-11-19/h2-5,16,19H,1,6-13,17H2
InChIKeyMQRUYVMSTQUGRY-UHFFFAOYSA-N
XLogP1.51
TPSA67.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[3-(4-methylpiperazin-1-yl)propoxy]aniline
CID 22124604
4-(2-bromoethoxy)-1-(3-phenoxypropyl)piperidine
CID 82702024
4-(2-chloroethoxy)-1-(3-phenoxypropyl)piperidine
CID 82701439
2-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanol
CID 115771078
2-[1-(5-sulfanylpentyl)piperidin-4-yl]oxyethanol
CID 82693649
2-[1-[2-(2-aminoethoxy)ethyl]piperidin-4-yl]oxyethanol
CID 166715109
2-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]ethanol
CID 139776336
3-[4-(3-aminopropoxy)piperidin-1-yl]propan-1-ol
CID 79735052
4-[3-(4-aminopiperidin-1-yl)propoxy]benzoic acid
CID 129300145
4-[19-(4-aminophenoxy)nonadecoxy]aniline
CID 139902778
2-[1-(3-ethylsulfanylpropyl)piperidin-4-yl]oxyethanol
CID 115771131
3-[4-(4-fluorophenoxy)piperidin-1-yl]propan-1-ol
CID 111381858

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(4-aminophenoxy)propyl]piperidin-4-yl]oxyethanol?
The IUPAC name of 2-[1-[3-(4-aminophenoxy)propyl]piperidin-4-yl]oxyethanol (CID 82012443) is 2-[1-[3-(4-aminophenoxy)propyl]piperidin-4-yl]oxyethanol.
What is the SMILES notation for 2-[1-[3-(4-aminophenoxy)propyl]piperidin-4-yl]oxyethanol?
The canonical SMILES for 2-[1-[3-(4-aminophenoxy)propyl]piperidin-4-yl]oxyethanol is Nc1ccc(OCCCN2CCC(OCCO)CC2)cc1.
What is the InChIKey of 2-[1-[3-(4-aminophenoxy)propyl]piperidin-4-yl]oxyethanol?
The InChIKey is MQRUYVMSTQUGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c17-14-2-4-15(5-3-14)20-12-1-8-18-9-6-16(7-10-18)21-13-11-19/h2-5,16,19H,1,6-13,17H2.
What are the key properties of 2-[1-[3-(4-aminophenoxy)propyl]piperidin-4-yl]oxyethanol?
2-[1-[3-(4-aminophenoxy)propyl]piperidin-4-yl]oxyethanol has a molecular weight of 294.39 g/mol, XLogP of 1.51, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(4-aminophenoxy)propyl]piperidin-4-yl]oxyethanol is sourced from PubChem (CID 82012443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).