ethyl 1-(5,5-diphenylpent-4-enyl)piperidine-3-carboxylate

C25H31NO2 — CID 54436757

IUPACethyl 1-(5,5-diphenylpent-4-enyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(CCCC=C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C25H31NO2/c1-2-28-25(27)23-16-11-19-26(20-23)18-10-9-17-24(21-12-5-3-6-13-21)22-14-7-4-8-15-22/h3-8,12-15,17,23H,2,9-11,16,18-20H2,1H3
InChIKeyWLGRCDGDWNUWIK-UHFFFAOYSA-N
MW377.53 g/mol
LogP5.17
Rot. Bonds8

About ethyl 1-(5,5-diphenylpent-4-enyl)piperidine-3-carboxylate

ethyl 1-(5,5-diphenylpent-4-enyl)piperidine-3-carboxylate (PubChem CID 54436757) has the molecular formula C25H31NO2 and a molecular weight of 377.53 g/mol. Its IUPAC name is ethyl 1-(5,5-diphenylpent-4-enyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(5,5-diphenylpent-4-enyl)piperidine-3-carboxylate
PubChem CID54436757
Molecular FormulaC25H31NO2
Molecular Weight377.53 g/mol
Exact Mass377.24
IUPAC Nameethyl 1-(5,5-diphenylpent-4-enyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(CCCC=C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C25H31NO2/c1-2-28-25(27)23-16-11-19-26(20-23)18-10-9-17-24(21-12-5-3-6-13-21)22-14-7-4-8-15-22/h3-8,12-15,17,23H,2,9-11,16,18-20H2,1H3
InChIKeyWLGRCDGDWNUWIK-UHFFFAOYSA-N
XLogP5.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.53
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-(3-phenylpropyl)piperidine-3-carboxylate;hydrochloride
CID 6603291
ethyl (3S)-1-(2-phenylethyl)piperidine-3-carboxylate
CID 783175
ethyl (3R)-1-[3-(14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenylidene)propyl]piperidine-3-carboxylate
CID 57216725
ethyl (3S)-1-hexylpiperidine-3-carboxylate
CID 81337885
ethyl (3R)-1-[3-(4-phenylmethoxyphenoxy)propyl]piperidine-3-carboxylate
CID 40800660
ethyl (3R)-1-[3-[2,2-bis(4-fluorophenyl)ethenoxy]propyl]piperidine-3-carboxylate;hydrochloride
CID 139817250
3-[[(3S)-3-ethoxycarbonylpiperidin-1-yl]methyl]benzoic acid
CID 122028809
(3R)-1-[3-(3,3-diphenylprop-2-enoxy)propyl]piperidine-3-carboxylic acid
CID 54444555
1-[(E)-4-(3-methylphenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid
CID 171377159
ethyl (3R)-1-[3-(10,12-dihydrobenzo[b][1,5]benzoxazocin-11-yl)propyl]piperidine-3-carboxylate
CID 70203449
ethyl 1-dodecylpiperidine-3-carboxylate;hydrochloride
CID 117069127
ethyl 1-(3-phenylpropyl)pyrrolidine-3-carboxylate
CID 139211005

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(5,5-diphenylpent-4-enyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(5,5-diphenylpent-4-enyl)piperidine-3-carboxylate (CID 54436757) is ethyl 1-(5,5-diphenylpent-4-enyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(5,5-diphenylpent-4-enyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(5,5-diphenylpent-4-enyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(CCCC=C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of ethyl 1-(5,5-diphenylpent-4-enyl)piperidine-3-carboxylate?
The InChIKey is WLGRCDGDWNUWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31NO2/c1-2-28-25(27)23-16-11-19-26(20-23)18-10-9-17-24(21-12-5-3-6-13-21)22-14-7-4-8-15-22/h3-8,12-15,17,23H,2,9-11,16,18-20H2,1H3.
What are the key properties of ethyl 1-(5,5-diphenylpent-4-enyl)piperidine-3-carboxylate?
ethyl 1-(5,5-diphenylpent-4-enyl)piperidine-3-carboxylate has a molecular weight of 377.53 g/mol, XLogP of 5.17, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(5,5-diphenylpent-4-enyl)piperidine-3-carboxylate is sourced from PubChem (CID 54436757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).