tert-butyl 4-ethynyl-4-propan-2-yloxypiperidine-1-carboxylate

C15H25NO3 — CID 169312122

IUPACtert-butyl 4-ethynyl-4-propan-2-yloxypiperidine-1-carboxylate
SMILESC#CC1(OC(C)C)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H25NO3/c1-7-15(18-12(2)3)8-10-16(11-9-15)13(17)19-14(4,5)6/h1,12H,8-11H2,2-6H3
InChIKeyRTRZHITYGJXRIP-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.81
Rot. Bonds2

About tert-butyl 4-ethynyl-4-propan-2-yloxypiperidine-1-carboxylate

tert-butyl 4-ethynyl-4-propan-2-yloxypiperidine-1-carboxylate (PubChem CID 169312122) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is tert-butyl 4-ethynyl-4-propan-2-yloxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-ethynyl-4-propan-2-yloxypiperidine-1-carboxylate
PubChem CID169312122
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Nametert-butyl 4-ethynyl-4-propan-2-yloxypiperidine-1-carboxylate
SMILESC#CC1(OC(C)C)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H25NO3/c1-7-15(18-12(2)3)8-10-16(11-9-15)13(17)19-14(4,5)6/h1,12H,8-11H2,2-6H3
InChIKeyRTRZHITYGJXRIP-UHFFFAOYSA-N
XLogP2.81
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-carbonochloridoyloxy-4-ethynylpiperidine-1-carboxylate
CID 126844305
tert-butyl (3S)-3-ethynyl-3-fluoropyrrolidine-1-carboxylate
CID 171934896
tert-butyl 3-ethynyl-3-methylpyrrolidine-1-carboxylate;ethane
CID 171093014
tert-butyl 9-[(1R)-1-hydroxyprop-2-ynyl]-3-azaspiro[5.5]undecane-3-carboxylate
CID 176890601
tert-butyl 4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 67240999
1-[(2-methylpropan-2-yl)oxycarbonyl]-4-propan-2-ylpiperidine-4-carboxylic acid
CID 45073939
tert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane
CID 177036398
tert-butyl 4-[(4-ethynylbenzoyl)amino]-4-methylpiperidine-1-carboxylate
CID 150372713
tert-butyl azacyclopentadecane-1-carboxylate
CID 11771344
tert-butyl pyrrolidine-1-carboxylate;ethane;methanol
CID 142181784
tert-butyl 3,3-difluoropyrrolidine-1-carboxylate
CID 18542424
tert-butyl 7-azaspiro[3.5]nonane-7-carboxylate
CID 130609664

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-ethynyl-4-propan-2-yloxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-ethynyl-4-propan-2-yloxypiperidine-1-carboxylate (CID 169312122) is tert-butyl 4-ethynyl-4-propan-2-yloxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-ethynyl-4-propan-2-yloxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-ethynyl-4-propan-2-yloxypiperidine-1-carboxylate is C#CC1(OC(C)C)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-ethynyl-4-propan-2-yloxypiperidine-1-carboxylate?
The InChIKey is RTRZHITYGJXRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-7-15(18-12(2)3)8-10-16(11-9-15)13(17)19-14(4,5)6/h1,12H,8-11H2,2-6H3.
What are the key properties of tert-butyl 4-ethynyl-4-propan-2-yloxypiperidine-1-carboxylate?
tert-butyl 4-ethynyl-4-propan-2-yloxypiperidine-1-carboxylate has a molecular weight of 267.37 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-ethynyl-4-propan-2-yloxypiperidine-1-carboxylate is sourced from PubChem (CID 169312122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).