ethyl 4-tritylpiperidine-1-carboxylate

C27H29NO2 — CID 22911669

IUPACethyl 4-tritylpiperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C(c2ccccc2)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C27H29NO2/c1-2-30-26(29)28-20-18-25(19-21-28)27(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-17,25H,2,18-21H2,1H3
InChIKeyJMOXTCTVFWVSPK-UHFFFAOYSA-N
MW399.53 g/mol
LogP5.89
Rot. Bonds5

About ethyl 4-tritylpiperidine-1-carboxylate

ethyl 4-tritylpiperidine-1-carboxylate (PubChem CID 22911669) has the molecular formula C27H29NO2 and a molecular weight of 399.53 g/mol. Its IUPAC name is ethyl 4-tritylpiperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-tritylpiperidine-1-carboxylate
PubChem CID22911669
Molecular FormulaC27H29NO2
Molecular Weight399.53 g/mol
Exact Mass399.22
IUPAC Nameethyl 4-tritylpiperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C(c2ccccc2)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C27H29NO2/c1-2-30-26(29)28-20-18-25(19-21-28)27(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-17,25H,2,18-21H2,1H3
InChIKeyJMOXTCTVFWVSPK-UHFFFAOYSA-N
XLogP5.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.53
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-tritylpiperazine-1-carboxylate
CID 147686070
ethyl 4-benzylpiperidine-1-carboxylate
CID 3561633
benzyl 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate
CID 10549065
benzyl 4-(2-amino-1-ethoxy-1,3-dioxobutan-2-yl)piperidine-1-carboxylate
CID 57325282
ethyl 4-(3-methyl-3-phenylbutyl)piperazine-1-carboxylate
CID 14649429
ethyl 4-(phenylsulfanylmethyl)piperidine-1-carboxylate
CID 110672480
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
ethyl 4-(4-phenylpiperazin-1-yl)piperidine-1-carboxylate
CID 3469280
ethyl 4-benzoylpiperazine-1-carboxylate
CID 3273572
benzyl 4-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate
CID 14989191
ethyl 4-[2-(4-tert-butylcyclohexyl)phenyl]piperazine-1-carboxylate
CID 59769450
ethyl 4-[3-(benzylamino)propyl]piperidine-1-carboxylate
CID 21241620

Frequently Asked Questions

What is the IUPAC name of ethyl 4-tritylpiperidine-1-carboxylate?
The IUPAC name of ethyl 4-tritylpiperidine-1-carboxylate (CID 22911669) is ethyl 4-tritylpiperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-tritylpiperidine-1-carboxylate?
The canonical SMILES for ethyl 4-tritylpiperidine-1-carboxylate is CCOC(=O)N1CCC(C(c2ccccc2)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of ethyl 4-tritylpiperidine-1-carboxylate?
The InChIKey is JMOXTCTVFWVSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29NO2/c1-2-30-26(29)28-20-18-25(19-21-28)27(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-17,25H,2,18-21H2,1H3.
What are the key properties of ethyl 4-tritylpiperidine-1-carboxylate?
ethyl 4-tritylpiperidine-1-carboxylate has a molecular weight of 399.53 g/mol, XLogP of 5.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-tritylpiperidine-1-carboxylate is sourced from PubChem (CID 22911669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).