3-[1-[3-(6-methoxynaphthalen-2-yl)oxypropyl]piperidin-4-yl]pyridine

C24H28N2O2 — CID 21198085

IUPAC3-[1-[3-(6-methoxynaphthalen-2-yl)oxypropyl]piperidin-4-yl]pyridine
SMILESCOc1ccc2cc(OCCCN3CCC(c4cccnc4)CC3)ccc2c1
InChIInChI=1S/C24H28N2O2/c1-27-23-7-5-21-17-24(8-6-20(21)16-23)28-15-3-12-26-13-9-19(10-14-26)22-4-2-11-25-18-22/h2,4-8,11,16-19H,3,9-10,12-15H2,1H3
InChIKeyIQEHDNFXCAOIEE-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.89
Rot. Bonds7

About 3-[1-[3-(6-methoxynaphthalen-2-yl)oxypropyl]piperidin-4-yl]pyridine

3-[1-[3-(6-methoxynaphthalen-2-yl)oxypropyl]piperidin-4-yl]pyridine (PubChem CID 21198085) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 3-[1-[3-(6-methoxynaphthalen-2-yl)oxypropyl]piperidin-4-yl]pyridine.

Molecular Properties

Compound Name3-[1-[3-(6-methoxynaphthalen-2-yl)oxypropyl]piperidin-4-yl]pyridine
PubChem CID21198085
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name3-[1-[3-(6-methoxynaphthalen-2-yl)oxypropyl]piperidin-4-yl]pyridine
SMILESCOc1ccc2cc(OCCCN3CCC(c4cccnc4)CC3)ccc2c1
InChIInChI=1S/C24H28N2O2/c1-27-23-7-5-21-17-24(8-6-20(21)16-23)28-15-3-12-26-13-9-19(10-14-26)22-4-2-11-25-18-22/h2,4-8,11,16-19H,3,9-10,12-15H2,1H3
InChIKeyIQEHDNFXCAOIEE-UHFFFAOYSA-N
XLogP4.89
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.89
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 3-[1-[3-(6-methoxynaphthalen-2-yl)oxypropyl]piperidin-4-yl]pyridine?
The IUPAC name of 3-[1-[3-(6-methoxynaphthalen-2-yl)oxypropyl]piperidin-4-yl]pyridine (CID 21198085) is 3-[1-[3-(6-methoxynaphthalen-2-yl)oxypropyl]piperidin-4-yl]pyridine.
What is the SMILES notation for 3-[1-[3-(6-methoxynaphthalen-2-yl)oxypropyl]piperidin-4-yl]pyridine?
The canonical SMILES for 3-[1-[3-(6-methoxynaphthalen-2-yl)oxypropyl]piperidin-4-yl]pyridine is COc1ccc2cc(OCCCN3CCC(c4cccnc4)CC3)ccc2c1.
What is the InChIKey of 3-[1-[3-(6-methoxynaphthalen-2-yl)oxypropyl]piperidin-4-yl]pyridine?
The InChIKey is IQEHDNFXCAOIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-27-23-7-5-21-17-24(8-6-20(21)16-23)28-15-3-12-26-13-9-19(10-14-26)22-4-2-11-25-18-22/h2,4-8,11,16-19H,3,9-10,12-15H2,1H3.
What are the key properties of 3-[1-[3-(6-methoxynaphthalen-2-yl)oxypropyl]piperidin-4-yl]pyridine?
3-[1-[3-(6-methoxynaphthalen-2-yl)oxypropyl]piperidin-4-yl]pyridine has a molecular weight of 376.50 g/mol, XLogP of 4.89, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(6-methoxynaphthalen-2-yl)oxypropyl]piperidin-4-yl]pyridine is sourced from PubChem (CID 21198085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).