4-[4-[(3-piperidin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]piperidine

C30H40N2O — CID 141155457

IUPAC4-[4-[(3-piperidin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]piperidine
SMILESc1ccc2c(c1)CC(C1CCNCC1)CC2OC1CC(C2CCNCC2)Cc2ccccc21
InChIInChI=1S/C30H40N2O/c1-3-7-27-23(5-1)17-25(21-9-13-31-14-10-21)19-29(27)33-30-20-26(22-11-15-32-16-12-22)18-24-6-2-4-8-28(24)30/h1-8,21-22,25-26,29-32H,9-20H2
InChIKeyQLUGNEBMOBNKQM-UHFFFAOYSA-N
MW444.66 g/mol
LogP5.61
Rot. Bonds4

About 4-[4-[(3-piperidin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]piperidine

4-[4-[(3-piperidin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]piperidine (PubChem CID 141155457) has the molecular formula C30H40N2O and a molecular weight of 444.66 g/mol. Its IUPAC name is 4-[4-[(3-piperidin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]piperidine.

Molecular Properties

Compound Name4-[4-[(3-piperidin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]piperidine
PubChem CID141155457
Molecular FormulaC30H40N2O
Molecular Weight444.66 g/mol
Exact Mass444.31
IUPAC Name4-[4-[(3-piperidin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]piperidine
SMILESc1ccc2c(c1)CC(C1CCNCC1)CC2OC1CC(C2CCNCC2)Cc2ccccc21
InChIInChI=1S/C30H40N2O/c1-3-7-27-23(5-1)17-25(21-9-13-31-14-10-21)19-29(27)33-30-20-26(22-11-15-32-16-12-22)18-24-6-2-4-8-28(24)30/h1-8,21-22,25-26,29-32H,9-20H2
InChIKeyQLUGNEBMOBNKQM-UHFFFAOYSA-N
XLogP5.61
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.66
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Litoxetine
CID 65650
(3R,4R)-4-[4-(3-Benzyloxy-propoxymethyl)-phenyl]-3-(naphthalen-2-ylmethoxy)-piperidine
CID 44278947
(3R,4R)-4-[4-(2-Benzyloxy-ethoxymethyl)-phenyl]-3-(naphthalen-2-ylmethoxy)-piperidine
CID 44279451
9,10-Ethanoanthracene, 9,10-dihydro-9-(2-piperidinoethoxy)-, hydrochloride
CID 202273
9,10-Ethanoanthracene, 9,10-dihydro-9-(2-(methylamino)ethoxy)-, hydrochloride
CID 203970
(3r,4r)-3-(Naphthalen-2-Ylmethoxy)-4-Phenylpiperidine
CID 70789272
Piperidinium, 1-(2-(9,10-dihydro-9,10-ethano-9-anthryloxy)ethyl)-1-methyl-, iodide
CID 203929
Litoxetine hydrochloride
CID 18545185
4-(Benzhydryloxymethyl)-1-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)piperidine
CID 44266064
1-[2-(1-Tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyloxy)ethyl]piperidine
CID 202274
N-methyl-2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyloxy)ethanamine
CID 203971
3-(4-Fluoro-2-methylphenyl)-4-[(3-phenylphenyl)methoxy]piperidine
CID 11610488

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3-piperidin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]piperidine?
The IUPAC name of 4-[4-[(3-piperidin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]piperidine (CID 141155457) is 4-[4-[(3-piperidin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]piperidine.
What is the SMILES notation for 4-[4-[(3-piperidin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]piperidine?
The canonical SMILES for 4-[4-[(3-piperidin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]piperidine is c1ccc2c(c1)CC(C1CCNCC1)CC2OC1CC(C2CCNCC2)Cc2ccccc21.
What is the InChIKey of 4-[4-[(3-piperidin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]piperidine?
The InChIKey is QLUGNEBMOBNKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N2O/c1-3-7-27-23(5-1)17-25(21-9-13-31-14-10-21)19-29(27)33-30-20-26(22-11-15-32-16-12-22)18-24-6-2-4-8-28(24)30/h1-8,21-22,25-26,29-32H,9-20H2.
What are the key properties of 4-[4-[(3-piperidin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]piperidine?
4-[4-[(3-piperidin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]piperidine has a molecular weight of 444.66 g/mol, XLogP of 5.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3-piperidin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]piperidine is sourced from PubChem (CID 141155457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).