4-benzyl-1-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]piperidine

C24H31NO — CID 11440556

IUPAC4-benzyl-1-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]piperidine
SMILESCOc1cccc2c1CC(CN1CCC(Cc3ccccc3)CC1)CC2
InChIInChI=1S/C24H31NO/c1-26-24-9-5-8-22-11-10-21(17-23(22)24)18-25-14-12-20(13-15-25)16-19-6-3-2-4-7-19/h2-9,20-21H,10-18H2,1H3
InChIKeyPGALYKJJGGBYSX-UHFFFAOYSA-N
MW349.52 g/mol
LogP4.75
Rot. Bonds5

About 4-benzyl-1-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]piperidine

4-benzyl-1-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]piperidine (PubChem CID 11440556) has the molecular formula C24H31NO and a molecular weight of 349.52 g/mol. Its IUPAC name is 4-benzyl-1-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]piperidine.

Molecular Properties

Compound Name4-benzyl-1-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]piperidine
PubChem CID11440556
Molecular FormulaC24H31NO
Molecular Weight349.52 g/mol
Exact Mass349.24
IUPAC Name4-benzyl-1-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]piperidine
SMILESCOc1cccc2c1CC(CN1CCC(Cc3ccccc3)CC1)CC2
InChIInChI=1S/C24H31NO/c1-26-24-9-5-8-22-11-10-21(17-23(22)24)18-25-14-12-20(13-15-25)16-19-6-3-2-4-7-19/h2-9,20-21H,10-18H2,1H3
InChIKeyPGALYKJJGGBYSX-UHFFFAOYSA-N
XLogP4.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-benzyl-1-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]piperidine;hydrochloride
CID 11451970
(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine;hydrochloride
CID 19888691
1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(2-methoxyphenyl)piperazine
CID 127033889
4-benzyl-1-(cyclopentylmethyl)piperidine
CID 82089376
1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methylmethanamine
CID 112547016
4-benzyl-1-[(3,4-dimethoxyphenyl)methyl]piperidine
CID 765092
4-benzyl-1-(3,4-dihydro-2H-chromen-2-ylmethyl)piperidine
CID 11220953
(2R)-N-benzyl-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 22866782
4-methoxy-7-[(4-phenylpiperidin-1-yl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol;hydrochloride
CID 22273787
4-benzyl-1-(3,4-dihydro-2H-chromen-3-ylmethyl)piperidine;hydrochloride
CID 11152526
4-benzyl-1-[[(1R)-4-ethylcyclooctyl]methyl]piperidine
CID 142080658
5-[(4-benzylpiperidin-1-yl)methyl]-2-methoxyaniline
CID 39448734

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]piperidine?
The IUPAC name of 4-benzyl-1-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]piperidine (CID 11440556) is 4-benzyl-1-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]piperidine.
What is the SMILES notation for 4-benzyl-1-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]piperidine?
The canonical SMILES for 4-benzyl-1-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]piperidine is COc1cccc2c1CC(CN1CCC(Cc3ccccc3)CC1)CC2.
What is the InChIKey of 4-benzyl-1-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]piperidine?
The InChIKey is PGALYKJJGGBYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO/c1-26-24-9-5-8-22-11-10-21(17-23(22)24)18-25-14-12-20(13-15-25)16-19-6-3-2-4-7-19/h2-9,20-21H,10-18H2,1H3.
What are the key properties of 4-benzyl-1-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]piperidine?
4-benzyl-1-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]piperidine has a molecular weight of 349.52 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-[(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]piperidine is sourced from PubChem (CID 11440556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).