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

C18H27NO2 — CID 58041388

IUPACtert-butyl 4-(2-phenylethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCc2ccccc2)CC1
InChIInChI=1S/C18H27NO2/c1-18(2,3)21-17(20)19-13-11-16(12-14-19)10-9-15-7-5-4-6-8-15/h4-8,16H,9-14H2,1-3H3
InChIKeyBHULYAMWHACANK-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.27
Rot. Bonds3

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

tert-butyl 4-(2-phenylethyl)piperidine-1-carboxylate (PubChem CID 58041388) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is tert-butyl 4-(2-phenylethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-phenylethyl)piperidine-1-carboxylate
PubChem CID58041388
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Nametert-butyl 4-(2-phenylethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCc2ccccc2)CC1
InChIInChI=1S/C18H27NO2/c1-18(2,3)21-17(20)19-13-11-16(12-14-19)10-9-15-7-5-4-6-8-15/h4-8,16H,9-14H2,1-3H3
InChIKeyBHULYAMWHACANK-UHFFFAOYSA-N
XLogP4.27
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]benzoic acid
CID 57421826
tert-butyl 4-[2-(4-methylphenyl)ethyl]piperidine-1-carboxylate
CID 65142715
tert-butyl 4-(2-pyridin-4-ylethyl)piperidine-1-carboxylate
CID 174174191
tert-butyl 4-[2-(4-cyclopropylphenyl)ethyl]piperidine-1-carboxylate
CID 134385902
tert-butyl 4-aminopiperidine-1-carboxylate;2-phenylethanol
CID 142239984
tert-butyl 4-[2-(4-ethynylphenyl)ethyl]piperidine-1-carboxylate
CID 118525540
tert-butyl 4-[2-(2-fluorophenyl)ethyl]piperidine-1-carboxylate
CID 134385677
tert-butyl 4-(2-phenoxyethyl)piperidine-1-carboxylate
CID 58808100
tert-butyl (3S)-3-[2-(4-aminophenyl)ethyl]pyrrolidine-1-carboxylate
CID 67239593
tert-butyl 4-(2-benzoyloxyethyl)piperidine-1-carboxylate
CID 129162455
benzyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]sulfanylpiperidine-1-carboxylate
CID 129189016
tert-butyl 4-phenacylpiperidine-1-carboxylate
CID 137373276

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-phenylethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-phenylethyl)piperidine-1-carboxylate (CID 58041388) is tert-butyl 4-(2-phenylethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-phenylethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-phenylethyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CCc2ccccc2)CC1.
What is the InChIKey of tert-butyl 4-(2-phenylethyl)piperidine-1-carboxylate?
The InChIKey is BHULYAMWHACANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-18(2,3)21-17(20)19-13-11-16(12-14-19)10-9-15-7-5-4-6-8-15/h4-8,16H,9-14H2,1-3H3.
What are the key properties of tert-butyl 4-(2-phenylethyl)piperidine-1-carboxylate?
tert-butyl 4-(2-phenylethyl)piperidine-1-carboxylate has a molecular weight of 289.42 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-phenylethyl)piperidine-1-carboxylate is sourced from PubChem (CID 58041388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).