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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Related Compounds

4-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]pyridine
CID 50950194
1-[3-(3-methoxyphenoxy)propyl]piperidin-4-amine
CID 28802855
2-(4-pyridin-3-ylpiperidin-1-yl)ethanol
CID 150777844
1-[3-(3-cyclopropylphenoxy)propyl]pyrrolidine
CID 91040173
1-[6-(3-methoxyphenoxy)hexyl]-4-methylpiperidine
CID 11836207
1-(2-imidazol-1-ylethyl)-4-(3-methoxyphenyl)piperidine
CID 154807846
2-methyl-7-(3-piperidin-1-ylpropoxy)-4-pyridin-3-yl-3,4-dihydro-1H-isoquinoline
CID 11710352
3-[4-(4-methoxyphenyl)piperidin-1-yl]propan-1-amine
CID 94689546
4-[4-(3-methoxyphenyl)piperidin-1-yl]butanoic acid
CID 119135089
(6R,10bS)-9-(3-piperidin-1-ylpropoxy)-6-pyridin-3-yl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
CID 67542598
1-[3-(4-chlorophenoxy)propyl]-4-phenylpiperidine;hydrochloride
CID 139776325
3-[(2S)-1-[3-(3-methoxyphenoxy)propyl]piperidin-1-ium-2-yl]pyridine
CID 8016665

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).