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

C19H27NO3 — CID 58712713

IUPACtert-butyl 4-(2-cyclopropyloxyphenyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ccccc2OC2CC2)CC1
InChIInChI=1S/C19H27NO3/c1-19(2,3)23-18(21)20-12-10-14(11-13-20)16-6-4-5-7-17(16)22-15-8-9-15/h4-7,14-15H,8-13H2,1-3H3
InChIKeyLYQNNUSWHDLBQC-UHFFFAOYSA-N
MW317.43 g/mol
LogP4.34
Rot. Bonds3

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

tert-butyl 4-(2-cyclopropyloxyphenyl)piperidine-1-carboxylate (PubChem CID 58712713) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is tert-butyl 4-(2-cyclopropyloxyphenyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-cyclopropyloxyphenyl)piperidine-1-carboxylate
PubChem CID58712713
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Nametert-butyl 4-(2-cyclopropyloxyphenyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ccccc2OC2CC2)CC1
InChIInChI=1S/C19H27NO3/c1-19(2,3)23-18(21)20-12-10-14(11-13-20)16-6-4-5-7-17(16)22-15-8-9-15/h4-7,14-15H,8-13H2,1-3H3
InChIKeyLYQNNUSWHDLBQC-UHFFFAOYSA-N
XLogP4.34
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-cyclopropyloxyphenyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-cyclopropyloxyphenyl)piperidine-1-carboxylate (CID 58712713) is tert-butyl 4-(2-cyclopropyloxyphenyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-cyclopropyloxyphenyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-cyclopropyloxyphenyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2ccccc2OC2CC2)CC1.
What is the InChIKey of tert-butyl 4-(2-cyclopropyloxyphenyl)piperidine-1-carboxylate?
The InChIKey is LYQNNUSWHDLBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c1-19(2,3)23-18(21)20-12-10-14(11-13-20)16-6-4-5-7-17(16)22-15-8-9-15/h4-7,14-15H,8-13H2,1-3H3.
What are the key properties of tert-butyl 4-(2-cyclopropyloxyphenyl)piperidine-1-carboxylate?
tert-butyl 4-(2-cyclopropyloxyphenyl)piperidine-1-carboxylate has a molecular weight of 317.43 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-cyclopropyloxyphenyl)piperidine-1-carboxylate is sourced from PubChem (CID 58712713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).