4-[3-(3,4-dihydro-2H-pyrrol-5-yl)phenoxy]-1-propan-2-ylpiperidine

C18H26N2O — CID 67544335

IUPAC4-[3-(3,4-dihydro-2H-pyrrol-5-yl)phenoxy]-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(Oc2cccc(C3=NCCC3)c2)CC1
InChIInChI=1S/C18H26N2O/c1-14(2)20-11-8-16(9-12-20)21-17-6-3-5-15(13-17)18-7-4-10-19-18/h3,5-6,13-14,16H,4,7-12H2,1-2H3
InChIKeyLMYZPXTYBDXNIP-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.52
Rot. Bonds4

About 4-[3-(3,4-dihydro-2H-pyrrol-5-yl)phenoxy]-1-propan-2-ylpiperidine

4-[3-(3,4-dihydro-2H-pyrrol-5-yl)phenoxy]-1-propan-2-ylpiperidine (PubChem CID 67544335) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 4-[3-(3,4-dihydro-2H-pyrrol-5-yl)phenoxy]-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-[3-(3,4-dihydro-2H-pyrrol-5-yl)phenoxy]-1-propan-2-ylpiperidine
PubChem CID67544335
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name4-[3-(3,4-dihydro-2H-pyrrol-5-yl)phenoxy]-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(Oc2cccc(C3=NCCC3)c2)CC1
InChIInChI=1S/C18H26N2O/c1-14(2)20-11-8-16(9-12-20)21-17-6-3-5-15(13-17)18-7-4-10-19-18/h3,5-6,13-14,16H,4,7-12H2,1-2H3
InChIKeyLMYZPXTYBDXNIP-UHFFFAOYSA-N
XLogP3.52
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,4-dihydro-2H-pyrrol-5-yl)phenoxy]-1-propan-2-ylpiperidine?
The IUPAC name of 4-[3-(3,4-dihydro-2H-pyrrol-5-yl)phenoxy]-1-propan-2-ylpiperidine (CID 67544335) is 4-[3-(3,4-dihydro-2H-pyrrol-5-yl)phenoxy]-1-propan-2-ylpiperidine.
What is the SMILES notation for 4-[3-(3,4-dihydro-2H-pyrrol-5-yl)phenoxy]-1-propan-2-ylpiperidine?
The canonical SMILES for 4-[3-(3,4-dihydro-2H-pyrrol-5-yl)phenoxy]-1-propan-2-ylpiperidine is CC(C)N1CCC(Oc2cccc(C3=NCCC3)c2)CC1.
What is the InChIKey of 4-[3-(3,4-dihydro-2H-pyrrol-5-yl)phenoxy]-1-propan-2-ylpiperidine?
The InChIKey is LMYZPXTYBDXNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-14(2)20-11-8-16(9-12-20)21-17-6-3-5-15(13-17)18-7-4-10-19-18/h3,5-6,13-14,16H,4,7-12H2,1-2H3.
What are the key properties of 4-[3-(3,4-dihydro-2H-pyrrol-5-yl)phenoxy]-1-propan-2-ylpiperidine?
4-[3-(3,4-dihydro-2H-pyrrol-5-yl)phenoxy]-1-propan-2-ylpiperidine has a molecular weight of 286.42 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,4-dihydro-2H-pyrrol-5-yl)phenoxy]-1-propan-2-ylpiperidine is sourced from PubChem (CID 67544335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).