3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenylmethoxyethoxy)phenyl]piperidine-1-carboxylate

C32H32NO5- — CID 22128190

IUPAC3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenylmethoxyethoxy)phenyl]piperidine-1-carboxylate
SMILESO=C([O-])N1CCC(c2ccc(OCCOCc3ccccc3)cc2)C(OCc2ccc3ccccc3c2)C1
InChIInChI=1S/C32H33NO5/c34-32(35)33-17-16-30(31(21-33)38-23-25-10-11-26-8-4-5-9-28(26)20-25)27-12-14-29(15-13-27)37-19-18-36-22-24-6-2-1-3-7-24/h1-15,20,30-31H,16-19,21-23H2,(H,34,35)/p-1
InChIKeyJKLHISUMBVQTRX-UHFFFAOYSA-M
MW510.61 g/mol
LogP5.15
Rot. Bonds10

About 3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenylmethoxyethoxy)phenyl]piperidine-1-carboxylate

3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenylmethoxyethoxy)phenyl]piperidine-1-carboxylate (PubChem CID 22128190) has the molecular formula C32H32NO5- and a molecular weight of 510.61 g/mol. Its IUPAC name is 3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenylmethoxyethoxy)phenyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenylmethoxyethoxy)phenyl]piperidine-1-carboxylate
PubChem CID22128190
Molecular FormulaC32H32NO5-
Molecular Weight510.61 g/mol
Exact Mass510.23
IUPAC Name3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenylmethoxyethoxy)phenyl]piperidine-1-carboxylate
SMILESO=C([O-])N1CCC(c2ccc(OCCOCc3ccccc3)cc2)C(OCc2ccc3ccccc3c2)C1
InChIInChI=1S/C32H33NO5/c34-32(35)33-17-16-30(31(21-33)38-23-25-10-11-26-8-4-5-9-28(26)20-25)27-12-14-29(15-13-27)37-19-18-36-22-24-6-2-1-3-7-24/h1-15,20,30-31H,16-19,21-23H2,(H,34,35)/p-1
InChIKeyJKLHISUMBVQTRX-UHFFFAOYSA-M
XLogP5.15
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.61
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenoxyethoxymethyl)phenyl]piperidine-1-carboxylic acid
CID 22126829
3-[(8-hydroxynaphthalen-2-yl)methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylate
CID 22128644
3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenylsulfanylethoxy)phenyl]piperidine-1-carboxylate
CID 22128353
4-[4-[2-(benzenesulfonyl)ethoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate
CID 22127382
4-[4-(3-phenylmethoxypropoxy)phenyl]-3-[[6-(2-trimethylsilylethoxymethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylate
CID 22128128
4-[4-[2-(4-bromophenoxy)ethoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylic acid
CID 22128667
tert-butyl 3-(naphthalen-2-ylmethoxy)-4-[4-(4-phenylmethoxybutoxy)phenyl]piperidine-1-carboxylate
CID 54446458
4-[4-[2-(2-methoxy-2-phenylacetyl)oxyethoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate
CID 22128032
4-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate
CID 22128440
3-[[7-[(dimethylamino)methyl]naphthalen-2-yl]methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylic acid
CID 22128195
3-[(4-hydroxynaphthalen-2-yl)methoxy]-4-[4-(2-phenylmethoxyethoxy)phenyl]piperidine-1-carboxylic acid
CID 22127119
4-[2-[methyl(3-phenylmethoxypropyl)amino]pyrimidin-5-yl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate
CID 22128269

Frequently Asked Questions

What is the IUPAC name of 3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenylmethoxyethoxy)phenyl]piperidine-1-carboxylate?
The IUPAC name of 3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenylmethoxyethoxy)phenyl]piperidine-1-carboxylate (CID 22128190) is 3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenylmethoxyethoxy)phenyl]piperidine-1-carboxylate.
What is the SMILES notation for 3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenylmethoxyethoxy)phenyl]piperidine-1-carboxylate?
The canonical SMILES for 3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenylmethoxyethoxy)phenyl]piperidine-1-carboxylate is O=C([O-])N1CCC(c2ccc(OCCOCc3ccccc3)cc2)C(OCc2ccc3ccccc3c2)C1.
What is the InChIKey of 3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenylmethoxyethoxy)phenyl]piperidine-1-carboxylate?
The InChIKey is JKLHISUMBVQTRX-UHFFFAOYSA-M. The full InChI is InChI=1S/C32H33NO5/c34-32(35)33-17-16-30(31(21-33)38-23-25-10-11-26-8-4-5-9-28(26)20-25)27-12-14-29(15-13-27)37-19-18-36-22-24-6-2-1-3-7-24/h1-15,20,30-31H,16-19,21-23H2,(H,34,35)/p-1.
What are the key properties of 3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenylmethoxyethoxy)phenyl]piperidine-1-carboxylate?
3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenylmethoxyethoxy)phenyl]piperidine-1-carboxylate has a molecular weight of 510.61 g/mol, XLogP of 5.15, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenylmethoxyethoxy)phenyl]piperidine-1-carboxylate is sourced from PubChem (CID 22128190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).