tert-butyl 2-thiophen-2-ylpiperidine-1-carboxylate

C14H21NO2S — CID 10539786

IUPACtert-butyl 2-thiophen-2-ylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1c1cccs1
InChIInChI=1S/C14H21NO2S/c1-14(2,3)17-13(16)15-9-5-4-7-11(15)12-8-6-10-18-12/h6,8,10-11H,4-5,7,9H2,1-3H3
InChIKeyWECXMEWKIQEXBY-UHFFFAOYSA-N
MW267.39 g/mol
LogP4.21
Rot. Bonds1

About tert-butyl 2-thiophen-2-ylpiperidine-1-carboxylate

tert-butyl 2-thiophen-2-ylpiperidine-1-carboxylate (PubChem CID 10539786) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is tert-butyl 2-thiophen-2-ylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-thiophen-2-ylpiperidine-1-carboxylate
PubChem CID10539786
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Nametert-butyl 2-thiophen-2-ylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1c1cccs1
InChIInChI=1S/C14H21NO2S/c1-14(2,3)17-13(16)15-9-5-4-7-11(15)12-8-6-10-18-12/h6,8,10-11H,4-5,7,9H2,1-3H3
InChIKeyWECXMEWKIQEXBY-UHFFFAOYSA-N
XLogP4.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Thiophen-2-ylmethyl-carbamic acid tert-butyl ester
CID 4935536
Ethyl 3-(thiophen-2-yl)piperazine-1-carboxylate
CID 2771741
Ethyl 4-(2-thienylmethyl)-1-piperazinecarboxylate
CID 783744
Piperazinium, 4-carboxy-1-methyl-1-(2-thenyl)-, chloride, ethyl ester
CID 3065860
tert-butyl 4H,5H,6H,7H-thieno[3,2-c]pyridine-5-carboxylate
CID 18377286
Tert-butyl (1-(thiophen-2-ylmethyl)piperidin-3-yl)carbamate
CID 46785877
tert-butyl 4-(aminomethyl)-4H,5H,6H,7H-thieno(3,2-c)pyridine-5-carboxylate
CID 146049782
tert-butyl N-[(3R)-3-amino-3-(thiophen-2-yl)propyl]-N-methylcarbamate
CID 155970858
Ethyl4-[(3-methylthiophen-2-yl)methyl]piperazine-1-carboxylate
CID 6456281
methyl N-methyl-N-(1-thiophen-2-ylethyl)carbamate
CID 115575425
tert-butyl 6-thiophen-2-yl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 10706828
Tert-butyl 4-[phenyl(thiophen-2-yl)methyl]piperazine-1-carboxylate
CID 53420459

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-thiophen-2-ylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-thiophen-2-ylpiperidine-1-carboxylate (CID 10539786) is tert-butyl 2-thiophen-2-ylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-thiophen-2-ylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-thiophen-2-ylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCCC1c1cccs1.
What is the InChIKey of tert-butyl 2-thiophen-2-ylpiperidine-1-carboxylate?
The InChIKey is WECXMEWKIQEXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-14(2,3)17-13(16)15-9-5-4-7-11(15)12-8-6-10-18-12/h6,8,10-11H,4-5,7,9H2,1-3H3.
What are the key properties of tert-butyl 2-thiophen-2-ylpiperidine-1-carboxylate?
tert-butyl 2-thiophen-2-ylpiperidine-1-carboxylate has a molecular weight of 267.39 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-thiophen-2-ylpiperidine-1-carboxylate is sourced from PubChem (CID 10539786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).