tert-butyl 4-(2-benzoyloxyethyl)piperidine-1-carboxylate

C19H27NO4 — CID 129162455

IUPACtert-butyl 4-(2-benzoyloxyethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCOC(=O)c2ccccc2)CC1
InChIInChI=1S/C19H27NO4/c1-19(2,3)24-18(22)20-12-9-15(10-13-20)11-14-23-17(21)16-7-5-4-6-8-16/h4-8,15H,9-14H2,1-3H3
InChIKeyYVGYPCHSFQTRLG-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.88
Rot. Bonds4

About tert-butyl 4-(2-benzoyloxyethyl)piperidine-1-carboxylate

tert-butyl 4-(2-benzoyloxyethyl)piperidine-1-carboxylate (PubChem CID 129162455) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is tert-butyl 4-(2-benzoyloxyethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-benzoyloxyethyl)piperidine-1-carboxylate
PubChem CID129162455
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC Nametert-butyl 4-(2-benzoyloxyethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCOC(=O)c2ccccc2)CC1
InChIInChI=1S/C19H27NO4/c1-19(2,3)24-18(22)20-12-9-15(10-13-20)11-14-23-17(21)16-7-5-4-6-8-16/h4-8,15H,9-14H2,1-3H3
InChIKeyYVGYPCHSFQTRLG-UHFFFAOYSA-N
XLogP3.88
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-(2-benzoyloxyethyl)piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 4-(2-benzoyloxyethyl)piperidine-1-carboxylate;tert-butyl 4-(2-hydroxyethyl)piperidine-1-carboxylate;2-piperidin-4-ylethyl benzoate
CID 162054470
tert-butyl 4-(2-benzoyloxy-2,2-dideuterioethyl)piperidine-1-carboxylate
CID 155269118
tert-butyl 4-(2-phenoxyethyl)piperidine-1-carboxylate
CID 58808100
tert-butyl 4-phenacylpiperidine-1-carboxylate
CID 137373276
tert-butyl 4-(2-phenylethyl)piperidine-1-carboxylate
CID 58041388
3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]benzoic acid
CID 57421826
tert-butyl 4-[(2S)-2-amino-2-phenylethyl]piperidine-1-carboxylate
CID 124671052
6-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]pyridine-3-carboxylic acid
CID 19034100
tert-butyl 4-[2-(4-ethylphenoxy)ethyl]piperidine-1-carboxylate
CID 143255517
tert-butyl 4-[2-[2-oxo-2-(1H-pyrrol-2-yl)ethoxy]ethyl]piperidine-1-carboxylate
CID 71630099
(1-amino-2-methyl-1-oxopropan-2-yl) 4-(2-phenylmethoxyethyl)piperidine-1-carboxylate
CID 173103351
4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]butanoic acid
CID 54240030

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-benzoyloxyethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-benzoyloxyethyl)piperidine-1-carboxylate (CID 129162455) is tert-butyl 4-(2-benzoyloxyethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-benzoyloxyethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-benzoyloxyethyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CCOC(=O)c2ccccc2)CC1.
What is the InChIKey of tert-butyl 4-(2-benzoyloxyethyl)piperidine-1-carboxylate?
The InChIKey is YVGYPCHSFQTRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO4/c1-19(2,3)24-18(22)20-12-9-15(10-13-20)11-14-23-17(21)16-7-5-4-6-8-16/h4-8,15H,9-14H2,1-3H3.
What are the key properties of tert-butyl 4-(2-benzoyloxyethyl)piperidine-1-carboxylate?
tert-butyl 4-(2-benzoyloxyethyl)piperidine-1-carboxylate has a molecular weight of 333.43 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-benzoyloxyethyl)piperidine-1-carboxylate is sourced from PubChem (CID 129162455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).