4-[2-[3-(3-methoxypropyl)phenoxy]propan-2-yl]-1-(2-propan-2-yloxyethyl)piperidine

C23H39NO3 — CID 155022989

IUPAC4-[2-[3-(3-methoxypropyl)phenoxy]propan-2-yl]-1-(2-propan-2-yloxyethyl)piperidine
SMILESCOCCCc1cccc(OC(C)(C)C2CCN(CCOC(C)C)CC2)c1
InChIInChI=1S/C23H39NO3/c1-19(2)26-17-15-24-13-11-21(12-14-24)23(3,4)27-22-10-6-8-20(18-22)9-7-16-25-5/h6,8,10,18-19,21H,7,9,11-17H2,1-5H3
InChIKeyXWGAQSYZYAHVLL-UHFFFAOYSA-N
MW377.57 g/mol
LogP4.56
Rot. Bonds11

About 4-[2-[3-(3-methoxypropyl)phenoxy]propan-2-yl]-1-(2-propan-2-yloxyethyl)piperidine

4-[2-[3-(3-methoxypropyl)phenoxy]propan-2-yl]-1-(2-propan-2-yloxyethyl)piperidine (PubChem CID 155022989) has the molecular formula C23H39NO3 and a molecular weight of 377.57 g/mol. Its IUPAC name is 4-[2-[3-(3-methoxypropyl)phenoxy]propan-2-yl]-1-(2-propan-2-yloxyethyl)piperidine.

Molecular Properties

Compound Name4-[2-[3-(3-methoxypropyl)phenoxy]propan-2-yl]-1-(2-propan-2-yloxyethyl)piperidine
PubChem CID155022989
Molecular FormulaC23H39NO3
Molecular Weight377.57 g/mol
Exact Mass377.29
IUPAC Name4-[2-[3-(3-methoxypropyl)phenoxy]propan-2-yl]-1-(2-propan-2-yloxyethyl)piperidine
SMILESCOCCCc1cccc(OC(C)(C)C2CCN(CCOC(C)C)CC2)c1
InChIInChI=1S/C23H39NO3/c1-19(2)26-17-15-24-13-11-21(12-14-24)23(3,4)27-22-10-6-8-20(18-22)9-7-16-25-5/h6,8,10,18-19,21H,7,9,11-17H2,1-5H3
InChIKeyXWGAQSYZYAHVLL-UHFFFAOYSA-N
XLogP4.56
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.57
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4-[2-[3-(3-methoxypropyl)phenoxy]propan-2-yl]-1-(2-propan-2-yloxyethyl)piperidine?
The IUPAC name of 4-[2-[3-(3-methoxypropyl)phenoxy]propan-2-yl]-1-(2-propan-2-yloxyethyl)piperidine (CID 155022989) is 4-[2-[3-(3-methoxypropyl)phenoxy]propan-2-yl]-1-(2-propan-2-yloxyethyl)piperidine.
What is the SMILES notation for 4-[2-[3-(3-methoxypropyl)phenoxy]propan-2-yl]-1-(2-propan-2-yloxyethyl)piperidine?
The canonical SMILES for 4-[2-[3-(3-methoxypropyl)phenoxy]propan-2-yl]-1-(2-propan-2-yloxyethyl)piperidine is COCCCc1cccc(OC(C)(C)C2CCN(CCOC(C)C)CC2)c1.
What is the InChIKey of 4-[2-[3-(3-methoxypropyl)phenoxy]propan-2-yl]-1-(2-propan-2-yloxyethyl)piperidine?
The InChIKey is XWGAQSYZYAHVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39NO3/c1-19(2)26-17-15-24-13-11-21(12-14-24)23(3,4)27-22-10-6-8-20(18-22)9-7-16-25-5/h6,8,10,18-19,21H,7,9,11-17H2,1-5H3.
What are the key properties of 4-[2-[3-(3-methoxypropyl)phenoxy]propan-2-yl]-1-(2-propan-2-yloxyethyl)piperidine?
4-[2-[3-(3-methoxypropyl)phenoxy]propan-2-yl]-1-(2-propan-2-yloxyethyl)piperidine has a molecular weight of 377.57 g/mol, XLogP of 4.56, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(3-methoxypropyl)phenoxy]propan-2-yl]-1-(2-propan-2-yloxyethyl)piperidine is sourced from PubChem (CID 155022989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).