ethyl 4-(4-tert-butylphenyl)-4-methylpiperidine-1-carboxylate

C19H29NO2 — CID 129156425

IUPACethyl 4-(4-tert-butylphenyl)-4-methylpiperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C)(c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C19H29NO2/c1-6-22-17(21)20-13-11-19(5,12-14-20)16-9-7-15(8-10-16)18(2,3)4/h7-10H,6,11-14H2,1-5H3
InChIKeyUCTHJRJJEYPQBZ-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.49
Rot. Bonds2

About ethyl 4-(4-tert-butylphenyl)-4-methylpiperidine-1-carboxylate

ethyl 4-(4-tert-butylphenyl)-4-methylpiperidine-1-carboxylate (PubChem CID 129156425) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is ethyl 4-(4-tert-butylphenyl)-4-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-tert-butylphenyl)-4-methylpiperidine-1-carboxylate
PubChem CID129156425
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Nameethyl 4-(4-tert-butylphenyl)-4-methylpiperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C)(c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C19H29NO2/c1-6-22-17(21)20-13-11-19(5,12-14-20)16-9-7-15(8-10-16)18(2,3)4/h7-10H,6,11-14H2,1-5H3
InChIKeyUCTHJRJJEYPQBZ-UHFFFAOYSA-N
XLogP4.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-bromophenyl)-4-methylpiperidine;ethyl 4-(4-bromophenyl)-4-methylpiperidine-1-carboxylate
CID 167691603
ethyl 4-(4-tert-butylbenzoyl)-1,4-diazepane-1-carboxylate
CID 110798584
2-methylbutan-2-yl 4-methyl-4-phenylpiperidine-1-carboxylate
CID 174192661
ethyl 4-hydroxy-4-(4-methylphenyl)piperidine-1-carboxylate
CID 3019411
ethyl 4-tert-butyl-4-methylpiperidine-1-carboxylate
CID 70795313
ethyl 4-[N'-[(4-tert-butylphenyl)methyl]carbamimidoyl]-4-phenylpiperidine-1-carboxylate
CID 142821606
4-(4-tert-butylphenyl)-1,4-dimethylpiperidine
CID 118133394
ethyl 3-hydroxy-3-(4-methylphenyl)pyrrolidine-1-carboxylate
CID 163559510
ethyl 4-[3-(4-tert-butylanilino)-3-oxopropanoyl]piperazine-1-carboxylate
CID 108950332
ethyl 4-(3-tert-butyl-4-hydroxybenzoyl)piperazine-1-carboxylate
CID 59382289
2-methylbutan-2-yl (3S)-3-methyl-3-phenylpyrrolidine-1-carboxylate
CID 174192662
4-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]benzoic acid
CID 22076886

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-tert-butylphenyl)-4-methylpiperidine-1-carboxylate?
The IUPAC name of ethyl 4-(4-tert-butylphenyl)-4-methylpiperidine-1-carboxylate (CID 129156425) is ethyl 4-(4-tert-butylphenyl)-4-methylpiperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(4-tert-butylphenyl)-4-methylpiperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(4-tert-butylphenyl)-4-methylpiperidine-1-carboxylate is CCOC(=O)N1CCC(C)(c2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of ethyl 4-(4-tert-butylphenyl)-4-methylpiperidine-1-carboxylate?
The InChIKey is UCTHJRJJEYPQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-6-22-17(21)20-13-11-19(5,12-14-20)16-9-7-15(8-10-16)18(2,3)4/h7-10H,6,11-14H2,1-5H3.
What are the key properties of ethyl 4-(4-tert-butylphenyl)-4-methylpiperidine-1-carboxylate?
ethyl 4-(4-tert-butylphenyl)-4-methylpiperidine-1-carboxylate has a molecular weight of 303.45 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-tert-butylphenyl)-4-methylpiperidine-1-carboxylate is sourced from PubChem (CID 129156425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).