4-methyl-1-[4-(5-methyl-2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl]piperidine

C36H37NO — CID 134579937

IUPAC4-methyl-1-[4-(5-methyl-2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl]piperidine
SMILESCc1c(OCc2ccccc2)ccc2c1CCC(c1ccccc1)=C2c1ccc(N2CCC(C)CC2)cc1
InChIInChI=1S/C36H37NO/c1-26-21-23-37(24-22-26)31-15-13-30(14-16-31)36-33(29-11-7-4-8-12-29)18-17-32-27(2)35(20-19-34(32)36)38-25-28-9-5-3-6-10-28/h3-16,19-20,26H,17-18,21-25H2,1-2H3
InChIKeyLRZJIJYZDLCZDM-UHFFFAOYSA-N
MW499.70 g/mol
LogP8.72
Rot. Bonds6

About 4-methyl-1-[4-(5-methyl-2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl]piperidine

4-methyl-1-[4-(5-methyl-2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl]piperidine (PubChem CID 134579937) has the molecular formula C36H37NO and a molecular weight of 499.70 g/mol. Its IUPAC name is 4-methyl-1-[4-(5-methyl-2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl]piperidine.

Molecular Properties

Compound Name4-methyl-1-[4-(5-methyl-2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl]piperidine
PubChem CID134579937
Molecular FormulaC36H37NO
Molecular Weight499.70 g/mol
Exact Mass499.29
IUPAC Name4-methyl-1-[4-(5-methyl-2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl]piperidine
SMILESCc1c(OCc2ccccc2)ccc2c1CCC(c1ccccc1)=C2c1ccc(N2CCC(C)CC2)cc1
InChIInChI=1S/C36H37NO/c1-26-21-23-37(24-22-26)31-15-13-30(14-16-31)36-33(29-11-7-4-8-12-29)18-17-32-27(2)35(20-19-34(32)36)38-25-28-9-5-3-6-10-28/h3-16,19-20,26H,17-18,21-25H2,1-2H3
InChIKeyLRZJIJYZDLCZDM-UHFFFAOYSA-N
XLogP8.72
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.70
LogP ≤ 58.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

4-(dimethoxymethyl)-1-[4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl]piperidine
CID 134562587
1,5-dimethyl-6-phenylmethoxy-3,4-dihydroisoquinoline
CID 118966802
4-[1-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-6-phenylmethoxy-3,4-dihydronaphthalen-2-yl]pyridine
CID 170706322
(3S)-3-(2,2-dimethoxyethoxy)-1-[4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl]pyrrolidine
CID 134579714
4-(dimethoxymethyl)-1-[4-(2-methyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl]piperidine
CID 170706291
2-[1-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-6-phenylmethoxy-3,4-dihydronaphthalen-2-yl]pyridine
CID 170706594
1-benzyl-3-(4-methylphenyl)-4-[4-(4-methylpiperidin-1-yl)anilino]pyrrole-2,5-dione
CID 110600616
4-benzyl-1-(2-phenylmethoxy-5-piperidin-1-ylphenyl)piperidine
CID 130451089
(5-chloro-2-phenylmethoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 8800006
4-(7-fluoro-2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenol
CID 142367652
4-benzyl-1-(4-methylphenyl)piperidine
CID 101028203
tert-butyl N-methylcarbamate;ethane;3-[4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl]-3,9-diazaspiro[5.5]undecane
CID 164923137

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[4-(5-methyl-2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl]piperidine?
The IUPAC name of 4-methyl-1-[4-(5-methyl-2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl]piperidine (CID 134579937) is 4-methyl-1-[4-(5-methyl-2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl]piperidine.
What is the SMILES notation for 4-methyl-1-[4-(5-methyl-2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl]piperidine?
The canonical SMILES for 4-methyl-1-[4-(5-methyl-2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl]piperidine is Cc1c(OCc2ccccc2)ccc2c1CCC(c1ccccc1)=C2c1ccc(N2CCC(C)CC2)cc1.
What is the InChIKey of 4-methyl-1-[4-(5-methyl-2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl]piperidine?
The InChIKey is LRZJIJYZDLCZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H37NO/c1-26-21-23-37(24-22-26)31-15-13-30(14-16-31)36-33(29-11-7-4-8-12-29)18-17-32-27(2)35(20-19-34(32)36)38-25-28-9-5-3-6-10-28/h3-16,19-20,26H,17-18,21-25H2,1-2H3.
What are the key properties of 4-methyl-1-[4-(5-methyl-2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl]piperidine?
4-methyl-1-[4-(5-methyl-2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl]piperidine has a molecular weight of 499.70 g/mol, XLogP of 8.72, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[4-(5-methyl-2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl]piperidine is sourced from PubChem (CID 134579937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).