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

C18H27NO3 — CID 58808100

IUPACtert-butyl 4-(2-phenoxyethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCOc2ccccc2)CC1
InChIInChI=1S/C18H27NO3/c1-18(2,3)22-17(20)19-12-9-15(10-13-19)11-14-21-16-7-5-4-6-8-16/h4-8,15H,9-14H2,1-3H3
InChIKeyQLGCREMSQNNNFD-UHFFFAOYSA-N
MW305.42 g/mol
LogP4.10
Rot. Bonds4

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

tert-butyl 4-(2-phenoxyethyl)piperidine-1-carboxylate (PubChem CID 58808100) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is tert-butyl 4-(2-phenoxyethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-phenoxyethyl)piperidine-1-carboxylate
PubChem CID58808100
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Nametert-butyl 4-(2-phenoxyethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCOc2ccccc2)CC1
InChIInChI=1S/C18H27NO3/c1-18(2,3)22-17(20)19-12-9-15(10-13-19)11-14-21-16-7-5-4-6-8-16/h4-8,15H,9-14H2,1-3H3
InChIKeyQLGCREMSQNNNFD-UHFFFAOYSA-N
XLogP4.10
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate
CID 58808104
tert-butyl 4-[2-(4-ethylphenoxy)ethyl]piperidine-1-carboxylate
CID 143255517
tert-butyl 4-[2-(4-cyanophenoxy)ethyl]piperidine-1-carboxylate
CID 23034009
1-[4-(2-phenoxyethyl)piperidin-1-yl]ethanone
CID 53150715
tert-butyl 4-(2-benzoyloxyethyl)piperidine-1-carboxylate
CID 129162455
tert-butyl 4-(2-phenylethyl)piperidine-1-carboxylate
CID 58041388
6-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]pyridine-3-carboxylic acid
CID 19034100
tert-butyl 4-[2-[(6-bromo-2-pyridinyl)oxy]ethyl]piperidine-1-carboxylate
CID 71630068
tert-butyl 4-[2-(3,4-dinitrophenoxy)ethyl]piperidine-1-carboxylate
CID 86612986
3-methoxy-1-[4-(2-phenoxyethyl)piperidin-1-yl]propan-1-one
CID 53150681
2-[3-[4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]acetic acid
CID 10526731
tert-butyl 4-phenacylpiperidine-1-carboxylate
CID 137373276

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-phenoxyethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-phenoxyethyl)piperidine-1-carboxylate (CID 58808100) is tert-butyl 4-(2-phenoxyethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-phenoxyethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-phenoxyethyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CCOc2ccccc2)CC1.
What is the InChIKey of tert-butyl 4-(2-phenoxyethyl)piperidine-1-carboxylate?
The InChIKey is QLGCREMSQNNNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-18(2,3)22-17(20)19-12-9-15(10-13-19)11-14-21-16-7-5-4-6-8-16/h4-8,15H,9-14H2,1-3H3.
What are the key properties of tert-butyl 4-(2-phenoxyethyl)piperidine-1-carboxylate?
tert-butyl 4-(2-phenoxyethyl)piperidine-1-carboxylate has a molecular weight of 305.42 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-phenoxyethyl)piperidine-1-carboxylate is sourced from PubChem (CID 58808100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).