tert-butyl 4-[2-(hydroxymethyl)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propyl]piperidine-1-carboxylate

C24H44N2O5 — CID 69492381

IUPACtert-butyl 4-[2-(hydroxymethyl)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CC(CO)CC2CCN(C(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C24H44N2O5/c1-23(2,3)30-21(28)25-11-7-18(8-12-25)15-20(17-27)16-19-9-13-26(14-10-19)22(29)31-24(4,5)6/h18-20,27H,7-17H2,1-6H3
InChIKeyHYMLLZLDICJUKP-UHFFFAOYSA-N
MW440.63 g/mol
LogP4.67
Rot. Bonds5

About tert-butyl 4-[2-(hydroxymethyl)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propyl]piperidine-1-carboxylate

tert-butyl 4-[2-(hydroxymethyl)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propyl]piperidine-1-carboxylate (PubChem CID 69492381) has the molecular formula C24H44N2O5 and a molecular weight of 440.63 g/mol. Its IUPAC name is tert-butyl 4-[2-(hydroxymethyl)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(hydroxymethyl)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propyl]piperidine-1-carboxylate
PubChem CID69492381
Molecular FormulaC24H44N2O5
Molecular Weight440.63 g/mol
Exact Mass440.33
IUPAC Nametert-butyl 4-[2-(hydroxymethyl)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CC(CO)CC2CCN(C(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C24H44N2O5/c1-23(2,3)30-21(28)25-11-7-18(8-12-25)15-20(17-27)16-19-9-13-26(14-10-19)22(29)31-24(4,5)6/h18-20,27H,7-17H2,1-6H3
InChIKeyHYMLLZLDICJUKP-UHFFFAOYSA-N
XLogP4.67
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.63
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(hydroxymethyl)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(hydroxymethyl)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propyl]piperidine-1-carboxylate (CID 69492381) is tert-butyl 4-[2-(hydroxymethyl)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(hydroxymethyl)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(hydroxymethyl)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CC(CO)CC2CCN(C(=O)OC(C)(C)C)CC2)CC1.
What is the InChIKey of tert-butyl 4-[2-(hydroxymethyl)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propyl]piperidine-1-carboxylate?
The InChIKey is HYMLLZLDICJUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44N2O5/c1-23(2,3)30-21(28)25-11-7-18(8-12-25)15-20(17-27)16-19-9-13-26(14-10-19)22(29)31-24(4,5)6/h18-20,27H,7-17H2,1-6H3.
What are the key properties of tert-butyl 4-[2-(hydroxymethyl)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propyl]piperidine-1-carboxylate?
tert-butyl 4-[2-(hydroxymethyl)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propyl]piperidine-1-carboxylate has a molecular weight of 440.63 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(hydroxymethyl)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propyl]piperidine-1-carboxylate is sourced from PubChem (CID 69492381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).