ethyl 1-[2-(9-phenylxanthen-9-yl)oxyethyl]piperidine-3-carboxylate

C29H31NO4 — CID 10434259

IUPACethyl 1-[2-(9-phenylxanthen-9-yl)oxyethyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(CCOC2(c3ccccc3)c3ccccc3Oc3ccccc32)C1
InChIInChI=1S/C29H31NO4/c1-2-32-28(31)22-11-10-18-30(21-22)19-20-33-29(23-12-4-3-5-13-23)24-14-6-8-16-26(24)34-27-17-9-7-15-25(27)29/h3-9,12-17,22H,2,10-11,18-21H2,1H3
InChIKeyCHPKNWLSUHAVGX-UHFFFAOYSA-N
MW457.57 g/mol
LogP5.38
Rot. Bonds7

About ethyl 1-[2-(9-phenylxanthen-9-yl)oxyethyl]piperidine-3-carboxylate

ethyl 1-[2-(9-phenylxanthen-9-yl)oxyethyl]piperidine-3-carboxylate (PubChem CID 10434259) has the molecular formula C29H31NO4 and a molecular weight of 457.57 g/mol. Its IUPAC name is ethyl 1-[2-(9-phenylxanthen-9-yl)oxyethyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(9-phenylxanthen-9-yl)oxyethyl]piperidine-3-carboxylate
PubChem CID10434259
Molecular FormulaC29H31NO4
Molecular Weight457.57 g/mol
Exact Mass457.23
IUPAC Nameethyl 1-[2-(9-phenylxanthen-9-yl)oxyethyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(CCOC2(c3ccccc3)c3ccccc3Oc3ccccc32)C1
InChIInChI=1S/C29H31NO4/c1-2-32-28(31)22-11-10-18-30(21-22)19-20-33-29(23-12-4-3-5-13-23)24-14-6-8-16-26(24)34-27-17-9-7-15-25(27)29/h3-9,12-17,22H,2,10-11,18-21H2,1H3
InChIKeyCHPKNWLSUHAVGX-UHFFFAOYSA-N
XLogP5.38
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.57
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(9-phenylfluoren-9-yl)oxyethyl]piperidine-3-carboxylic acid
CID 10387048
ethyl (3R)-1-[3-(10,12-dihydrobenzo[b][1,5]benzoxazocin-11-yl)propyl]piperidine-3-carboxylate
CID 70203449
ethyl (3S)-1-(2-phenylethyl)piperidine-3-carboxylate
CID 783175
ethyl 1-(3-phenylpropyl)piperidine-3-carboxylate;hydrochloride
CID 6603291
ethyl 1-(5,5-diphenylpent-4-enyl)piperidine-3-carboxylate
CID 54436757
ethyl 1-[2-(4-methylphenoxy)ethyl]piperidine-3-carboxylate
CID 6459024
ethyl (3R)-1-[2-[(Z)-(2-methylphenyl)methylideneamino]oxyethyl]piperidine-3-carboxylate
CID 131719893
ethyl 1-[2-[2-(2-benzylphenyl)ethoxy]ethyl]piperidine-3-carboxylate
CID 57031215
ethyl (3S)-1-propylpiperidine-3-carboxylate
CID 51669174
ethyl (3R)-1-[3-(4-phenylmethoxyphenoxy)propyl]piperidine-3-carboxylate
CID 40800660
ethyl 1-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethyl]piperidine-3-carboxylate
CID 67767181
ethyl 1-[2-[(2-phenylcyclohexylidene)amino]oxyethyl]piperidine-3-carboxylate
CID 173328439

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(9-phenylxanthen-9-yl)oxyethyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[2-(9-phenylxanthen-9-yl)oxyethyl]piperidine-3-carboxylate (CID 10434259) is ethyl 1-[2-(9-phenylxanthen-9-yl)oxyethyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[2-(9-phenylxanthen-9-yl)oxyethyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[2-(9-phenylxanthen-9-yl)oxyethyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(CCOC2(c3ccccc3)c3ccccc3Oc3ccccc32)C1.
What is the InChIKey of ethyl 1-[2-(9-phenylxanthen-9-yl)oxyethyl]piperidine-3-carboxylate?
The InChIKey is CHPKNWLSUHAVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31NO4/c1-2-32-28(31)22-11-10-18-30(21-22)19-20-33-29(23-12-4-3-5-13-23)24-14-6-8-16-26(24)34-27-17-9-7-15-25(27)29/h3-9,12-17,22H,2,10-11,18-21H2,1H3.
What are the key properties of ethyl 1-[2-(9-phenylxanthen-9-yl)oxyethyl]piperidine-3-carboxylate?
ethyl 1-[2-(9-phenylxanthen-9-yl)oxyethyl]piperidine-3-carboxylate has a molecular weight of 457.57 g/mol, XLogP of 5.38, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(9-phenylxanthen-9-yl)oxyethyl]piperidine-3-carboxylate is sourced from PubChem (CID 10434259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).