tert-butyl 2-(1H-pyrrol-2-ylmethoxy)piperidine-1-carboxylate

C15H24N2O3 — CID 160564049

IUPACtert-butyl 2-(1H-pyrrol-2-ylmethoxy)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1OCc1ccc[nH]1
InChIInChI=1S/C15H24N2O3/c1-15(2,3)20-14(18)17-10-5-4-8-13(17)19-11-12-7-6-9-16-12/h6-7,9,13,16H,4-5,8,10-11H2,1-3H3
InChIKeyQZRPHYAINXIRCZ-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.28
Rot. Bonds3

About tert-butyl 2-(1H-pyrrol-2-ylmethoxy)piperidine-1-carboxylate

tert-butyl 2-(1H-pyrrol-2-ylmethoxy)piperidine-1-carboxylate (PubChem CID 160564049) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is tert-butyl 2-(1H-pyrrol-2-ylmethoxy)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(1H-pyrrol-2-ylmethoxy)piperidine-1-carboxylate
PubChem CID160564049
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Nametert-butyl 2-(1H-pyrrol-2-ylmethoxy)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1OCc1ccc[nH]1
InChIInChI=1S/C15H24N2O3/c1-15(2,3)20-14(18)17-10-5-4-8-13(17)19-11-12-7-6-9-16-12/h6-7,9,13,16H,4-5,8,10-11H2,1-3H3
InChIKeyQZRPHYAINXIRCZ-UHFFFAOYSA-N
XLogP3.28
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl 2-methoxypiperidine-1-carboxylate
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(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 10704682
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-2-phenylacetic acid
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tert-butyl (3S)-3-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate
CID 96556479
tert-butyl 2-butoxypyrrolidine-1-carboxylate
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tert-butyl 2-formylpiperidine-1-carboxylate;ethane
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CID 175496203

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(1H-pyrrol-2-ylmethoxy)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(1H-pyrrol-2-ylmethoxy)piperidine-1-carboxylate (CID 160564049) is tert-butyl 2-(1H-pyrrol-2-ylmethoxy)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(1H-pyrrol-2-ylmethoxy)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(1H-pyrrol-2-ylmethoxy)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCCC1OCc1ccc[nH]1.
What is the InChIKey of tert-butyl 2-(1H-pyrrol-2-ylmethoxy)piperidine-1-carboxylate?
The InChIKey is QZRPHYAINXIRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-15(2,3)20-14(18)17-10-5-4-8-13(17)19-11-12-7-6-9-16-12/h6-7,9,13,16H,4-5,8,10-11H2,1-3H3.
What are the key properties of tert-butyl 2-(1H-pyrrol-2-ylmethoxy)piperidine-1-carboxylate?
tert-butyl 2-(1H-pyrrol-2-ylmethoxy)piperidine-1-carboxylate has a molecular weight of 280.37 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(1H-pyrrol-2-ylmethoxy)piperidine-1-carboxylate is sourced from PubChem (CID 160564049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).