tert-butyl 4-[1-(2-methylphenyl)piperidin-4-yl]piperidine-1-carboxylate

C22H34N2O2 — CID 54587811

IUPACtert-butyl 4-[1-(2-methylphenyl)piperidin-4-yl]piperidine-1-carboxylate
SMILESCc1ccccc1N1CCC(C2CCN(C(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C22H34N2O2/c1-17-7-5-6-8-20(17)23-13-9-18(10-14-23)19-11-15-24(16-12-19)21(25)26-22(2,3)4/h5-8,18-19H,9-16H2,1-4H3
InChIKeyDDTGIEYQMKXYDD-UHFFFAOYSA-N
MW358.53 g/mol
LogP4.86
Rot. Bonds2

About tert-butyl 4-[1-(2-methylphenyl)piperidin-4-yl]piperidine-1-carboxylate

tert-butyl 4-[1-(2-methylphenyl)piperidin-4-yl]piperidine-1-carboxylate (PubChem CID 54587811) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is tert-butyl 4-[1-(2-methylphenyl)piperidin-4-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[1-(2-methylphenyl)piperidin-4-yl]piperidine-1-carboxylate
PubChem CID54587811
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC Nametert-butyl 4-[1-(2-methylphenyl)piperidin-4-yl]piperidine-1-carboxylate
SMILESCc1ccccc1N1CCC(C2CCN(C(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C22H34N2O2/c1-17-7-5-6-8-20(17)23-13-9-18(10-14-23)19-11-15-24(16-12-19)21(25)26-22(2,3)4/h5-8,18-19H,9-16H2,1-4H3
InChIKeyDDTGIEYQMKXYDD-UHFFFAOYSA-N
XLogP4.86
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-(2-methylphenyl)piperidin-4-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[1-(2-methylphenyl)piperidin-4-yl]piperidine-1-carboxylate (CID 54587811) is tert-butyl 4-[1-(2-methylphenyl)piperidin-4-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[1-(2-methylphenyl)piperidin-4-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[1-(2-methylphenyl)piperidin-4-yl]piperidine-1-carboxylate is Cc1ccccc1N1CCC(C2CCN(C(=O)OC(C)(C)C)CC2)CC1.
What is the InChIKey of tert-butyl 4-[1-(2-methylphenyl)piperidin-4-yl]piperidine-1-carboxylate?
The InChIKey is DDTGIEYQMKXYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O2/c1-17-7-5-6-8-20(17)23-13-9-18(10-14-23)19-11-15-24(16-12-19)21(25)26-22(2,3)4/h5-8,18-19H,9-16H2,1-4H3.
What are the key properties of tert-butyl 4-[1-(2-methylphenyl)piperidin-4-yl]piperidine-1-carboxylate?
tert-butyl 4-[1-(2-methylphenyl)piperidin-4-yl]piperidine-1-carboxylate has a molecular weight of 358.53 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[1-(2-methylphenyl)piperidin-4-yl]piperidine-1-carboxylate is sourced from PubChem (CID 54587811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).