1-[3-[4-[[2-(2-ethyl-3-methoxyphenyl)-6-methoxynaphthalen-1-yl]methyl]phenoxy]propyl]piperidine

C35H41NO3 — CID 18182647

IUPAC1-[3-[4-[[2-(2-ethyl-3-methoxyphenyl)-6-methoxynaphthalen-1-yl]methyl]phenoxy]propyl]piperidine
SMILESCCc1c(OC)cccc1-c1ccc2cc(OC)ccc2c1Cc1ccc(OCCCN2CCCCC2)cc1
InChIInChI=1S/C35H41NO3/c1-4-30-32(10-8-11-35(30)38-3)33-18-14-27-25-29(37-2)17-19-31(27)34(33)24-26-12-15-28(16-13-26)39-23-9-22-36-20-6-5-7-21-36/h8,10-19,25H,4-7,9,20-24H2,1-3H3
InChIKeyKNBCRLOUKMZTQN-UHFFFAOYSA-N
MW523.72 g/mol
LogP7.93
Rot. Bonds11

About 1-[3-[4-[[2-(2-ethyl-3-methoxyphenyl)-6-methoxynaphthalen-1-yl]methyl]phenoxy]propyl]piperidine

1-[3-[4-[[2-(2-ethyl-3-methoxyphenyl)-6-methoxynaphthalen-1-yl]methyl]phenoxy]propyl]piperidine (PubChem CID 18182647) has the molecular formula C35H41NO3 and a molecular weight of 523.72 g/mol. Its IUPAC name is 1-[3-[4-[[2-(2-ethyl-3-methoxyphenyl)-6-methoxynaphthalen-1-yl]methyl]phenoxy]propyl]piperidine.

Molecular Properties

Compound Name1-[3-[4-[[2-(2-ethyl-3-methoxyphenyl)-6-methoxynaphthalen-1-yl]methyl]phenoxy]propyl]piperidine
PubChem CID18182647
Molecular FormulaC35H41NO3
Molecular Weight523.72 g/mol
Exact Mass523.31
IUPAC Name1-[3-[4-[[2-(2-ethyl-3-methoxyphenyl)-6-methoxynaphthalen-1-yl]methyl]phenoxy]propyl]piperidine
SMILESCCc1c(OC)cccc1-c1ccc2cc(OC)ccc2c1Cc1ccc(OCCCN2CCCCC2)cc1
InChIInChI=1S/C35H41NO3/c1-4-30-32(10-8-11-35(30)38-3)33-18-14-27-25-29(37-2)17-19-31(27)34(33)24-26-12-15-28(16-13-26)39-23-9-22-36-20-6-5-7-21-36/h8,10-19,25H,4-7,9,20-24H2,1-3H3
InChIKeyKNBCRLOUKMZTQN-UHFFFAOYSA-N
XLogP7.93
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.72
LogP ≤ 57.93
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

1-[2-[4-[[6-methoxy-2-(3-methoxy-4-methylphenyl)naphthalen-1-yl]methyl]phenoxy]ethyl]piperidine
CID 18182724
6-(4-hydroxyphenyl)-5-[[4-(4-pyrrolidin-1-ylbutoxy)phenyl]methyl]naphthalen-2-ol
CID 18676010
1-[2-[4-[2-(2,6-difluorophenyl)-6-methoxynaphthalen-1-yl]oxyphenoxy]ethyl]piperidine
CID 11340786
[6-methoxy-2-(2-phenylmethoxyphenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol
CID 140514001
6-(3-hydroxy-4-methylphenyl)-5-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]naphthalen-2-ol
CID 18182697
[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol
CID 10207050
2-methoxy-3-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)benzoyl]naphthalen-2-yl]benzoic acid
CID 58877996
[2-(4-chloro-2-methoxyphenyl)-6-methoxynaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
CID 19362215
1-[2-[4-[2-[4-(cyclopropylmethyl)phenyl]-6-methoxynaphthalen-1-yl]oxyphenoxy]ethyl]piperidine
CID 58691217
3-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]benzonitrile
CID 69436639
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
2-butoxy-5-(3-piperidin-1-ylpropoxy)fluoren-9-one
CID 70191517

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[[2-(2-ethyl-3-methoxyphenyl)-6-methoxynaphthalen-1-yl]methyl]phenoxy]propyl]piperidine?
The IUPAC name of 1-[3-[4-[[2-(2-ethyl-3-methoxyphenyl)-6-methoxynaphthalen-1-yl]methyl]phenoxy]propyl]piperidine (CID 18182647) is 1-[3-[4-[[2-(2-ethyl-3-methoxyphenyl)-6-methoxynaphthalen-1-yl]methyl]phenoxy]propyl]piperidine.
What is the SMILES notation for 1-[3-[4-[[2-(2-ethyl-3-methoxyphenyl)-6-methoxynaphthalen-1-yl]methyl]phenoxy]propyl]piperidine?
The canonical SMILES for 1-[3-[4-[[2-(2-ethyl-3-methoxyphenyl)-6-methoxynaphthalen-1-yl]methyl]phenoxy]propyl]piperidine is CCc1c(OC)cccc1-c1ccc2cc(OC)ccc2c1Cc1ccc(OCCCN2CCCCC2)cc1.
What is the InChIKey of 1-[3-[4-[[2-(2-ethyl-3-methoxyphenyl)-6-methoxynaphthalen-1-yl]methyl]phenoxy]propyl]piperidine?
The InChIKey is KNBCRLOUKMZTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H41NO3/c1-4-30-32(10-8-11-35(30)38-3)33-18-14-27-25-29(37-2)17-19-31(27)34(33)24-26-12-15-28(16-13-26)39-23-9-22-36-20-6-5-7-21-36/h8,10-19,25H,4-7,9,20-24H2,1-3H3.
What are the key properties of 1-[3-[4-[[2-(2-ethyl-3-methoxyphenyl)-6-methoxynaphthalen-1-yl]methyl]phenoxy]propyl]piperidine?
1-[3-[4-[[2-(2-ethyl-3-methoxyphenyl)-6-methoxynaphthalen-1-yl]methyl]phenoxy]propyl]piperidine has a molecular weight of 523.72 g/mol, XLogP of 7.93, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[[2-(2-ethyl-3-methoxyphenyl)-6-methoxynaphthalen-1-yl]methyl]phenoxy]propyl]piperidine is sourced from PubChem (CID 18182647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).