tert-butyl 4-[5-phenyl-4-(tritylamino)pentyl]piperidine-1-carboxylate

C40H48N2O2 — CID 75182187

IUPACtert-butyl 4-[5-phenyl-4-(tritylamino)pentyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCCC(Cc2ccccc2)NC(c2ccccc2)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C40H48N2O2/c1-39(2,3)44-38(43)42-29-27-32(28-30-42)19-16-26-37(31-33-17-8-4-9-18-33)41-40(34-20-10-5-11-21-34,35-22-12-6-13-23-35)36-24-14-7-15-25-36/h4-15,17-18,20-25,32,37,41H,16,19,26-31H2,1-3H3
InChIKeyCSWLPTKGAKKGMI-UHFFFAOYSA-N
MW588.84 g/mol
LogP9.00
Rot. Bonds11

About tert-butyl 4-[5-phenyl-4-(tritylamino)pentyl]piperidine-1-carboxylate

tert-butyl 4-[5-phenyl-4-(tritylamino)pentyl]piperidine-1-carboxylate (PubChem CID 75182187) has the molecular formula C40H48N2O2 and a molecular weight of 588.84 g/mol. Its IUPAC name is tert-butyl 4-[5-phenyl-4-(tritylamino)pentyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-phenyl-4-(tritylamino)pentyl]piperidine-1-carboxylate
PubChem CID75182187
Molecular FormulaC40H48N2O2
Molecular Weight588.84 g/mol
Exact Mass588.37
IUPAC Nametert-butyl 4-[5-phenyl-4-(tritylamino)pentyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCCC(Cc2ccccc2)NC(c2ccccc2)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C40H48N2O2/c1-39(2,3)44-38(43)42-29-27-32(28-30-42)19-16-26-37(31-33-17-8-4-9-18-33)41-40(34-20-10-5-11-21-34,35-22-12-6-13-23-35)36-24-14-7-15-25-36/h4-15,17-18,20-25,32,37,41H,16,19,26-31H2,1-3H3
InChIKeyCSWLPTKGAKKGMI-UHFFFAOYSA-N
XLogP9.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.84
LogP ≤ 59.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-(2-phenylethyl)piperidine-1-carboxylate
CID 58041388
tert-butyl 4-[4-(phenylmethoxyamino)butyl]piperidine-1-carboxylate
CID 2784683
tert-butyl 4-[3-[4-[(2S)-4-methoxy-4-oxo-2-(phenylmethoxycarbonylamino)butyl]phenoxy]propyl]piperidine-1-carboxylate
CID 10008161
tert-butyl 4-[3-(1-phenylmethoxycarbonylpiperidin-4-yl)oxypropyl]piperidine-1-carboxylate
CID 166066118
tert-butyl 4-(3-benzylsulfonyloxypropyl)piperidine-1-carboxylate
CID 166066093
benzyl 4-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propyl]piperazine-1-carboxylate
CID 166066109
tert-butyl 4-[[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]methyl]piperidine-1-carboxylate
CID 23625015
tert-butyl 4-[4-[4-[(2S)-2-(benzylsulfonylamino)-3-methoxy-3-oxopropyl]phenoxy]butyl]piperidine-1-carboxylate
CID 10371164
tert-butyl 4-phenacylpiperidine-1-carboxylate
CID 137373276
tert-butyl 3-(3-hydroxypropyl)pyrrolidine-1-carboxylate;tert-butyl 3-(3-phenylmethoxypropyl)pyrrolidine-1-carboxylate
CID 161023380
tert-butyl 4-[(3-tert-butylphenyl)methyl]piperidine-1-carboxylate
CID 10735287
tert-butyl 4-(2-phenoxyethyl)piperidine-1-carboxylate
CID 58808100

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-phenyl-4-(tritylamino)pentyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-phenyl-4-(tritylamino)pentyl]piperidine-1-carboxylate (CID 75182187) is tert-butyl 4-[5-phenyl-4-(tritylamino)pentyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-phenyl-4-(tritylamino)pentyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-phenyl-4-(tritylamino)pentyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CCCC(Cc2ccccc2)NC(c2ccccc2)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of tert-butyl 4-[5-phenyl-4-(tritylamino)pentyl]piperidine-1-carboxylate?
The InChIKey is CSWLPTKGAKKGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H48N2O2/c1-39(2,3)44-38(43)42-29-27-32(28-30-42)19-16-26-37(31-33-17-8-4-9-18-33)41-40(34-20-10-5-11-21-34,35-22-12-6-13-23-35)36-24-14-7-15-25-36/h4-15,17-18,20-25,32,37,41H,16,19,26-31H2,1-3H3.
What are the key properties of tert-butyl 4-[5-phenyl-4-(tritylamino)pentyl]piperidine-1-carboxylate?
tert-butyl 4-[5-phenyl-4-(tritylamino)pentyl]piperidine-1-carboxylate has a molecular weight of 588.84 g/mol, XLogP of 9.00, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-phenyl-4-(tritylamino)pentyl]piperidine-1-carboxylate is sourced from PubChem (CID 75182187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).