tert-butyl (2R,4S)-4-butyl-2-(2-hydroxypentan-2-yl)piperidine-1-carboxylate

C19H37NO3 — CID 143875824

IUPACtert-butyl (2R,4S)-4-butyl-2-(2-hydroxypentan-2-yl)piperidine-1-carboxylate
SMILESCCCC[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(O)CCC)C1
InChIInChI=1S/C19H37NO3/c1-7-9-10-15-11-13-20(17(21)23-18(3,4)5)16(14-15)19(6,22)12-8-2/h15-16,22H,7-14H2,1-6H3/t15-,16+,19?/m0/s1
InChIKeyARKWAELTVWPBSA-GWFKTICUSA-N
MW327.51 g/mol
LogP4.74
Rot. Bonds6

About tert-butyl (2R,4S)-4-butyl-2-(2-hydroxypentan-2-yl)piperidine-1-carboxylate

tert-butyl (2R,4S)-4-butyl-2-(2-hydroxypentan-2-yl)piperidine-1-carboxylate (PubChem CID 143875824) has the molecular formula C19H37NO3 and a molecular weight of 327.51 g/mol. Its IUPAC name is tert-butyl (2R,4S)-4-butyl-2-(2-hydroxypentan-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,4S)-4-butyl-2-(2-hydroxypentan-2-yl)piperidine-1-carboxylate
PubChem CID143875824
Molecular FormulaC19H37NO3
Molecular Weight327.51 g/mol
Exact Mass327.28
IUPAC Nametert-butyl (2R,4S)-4-butyl-2-(2-hydroxypentan-2-yl)piperidine-1-carboxylate
SMILESCCCC[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(O)CCC)C1
InChIInChI=1S/C19H37NO3/c1-7-9-10-15-11-13-20(17(21)23-18(3,4)5)16(14-15)19(6,22)12-8-2/h15-16,22H,7-14H2,1-6H3/t15-,16+,19?/m0/s1
InChIKeyARKWAELTVWPBSA-GWFKTICUSA-N
XLogP4.74
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.51
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 175292956
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tert-butyl 4-(2-aminoethyl)-2-ethylpiperidine-1-carboxylate
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tert-butyl (2R,4S)-2-butyl-4-hydroxypyrrolidine-1-carboxylate
CID 99994221
tert-butyl 4-(aminomethyl)-2-cyclopropylpiperidine-1-carboxylate
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tert-butyl 4-ethyl-2-(2-hydroxy-5-methylcyclohexyl)piperidine-1-carboxylate
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tert-butyl 4-(2-aminoethyl)-2-(2-methylpropyl)piperidine-1-carboxylate
CID 84813183
tert-butyl 7-nonyl-azacyclododecane-1-carboxylate
CID 139299125
tert-butyl 5-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate
CID 135394930
ethyl 2-amino-4-pentylpiperidine-1-carboxylate
CID 70618128
tert-butyl (2R,4R)-2-[(1S)-1,2-dihydroxyethyl]-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidine-1-carboxylate
CID 102407929
tert-butyl (2R,4S)-4-hydroxy-2-methylpiperidine-1-carboxylate
CID 18653318

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,4S)-4-butyl-2-(2-hydroxypentan-2-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,4S)-4-butyl-2-(2-hydroxypentan-2-yl)piperidine-1-carboxylate (CID 143875824) is tert-butyl (2R,4S)-4-butyl-2-(2-hydroxypentan-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,4S)-4-butyl-2-(2-hydroxypentan-2-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,4S)-4-butyl-2-(2-hydroxypentan-2-yl)piperidine-1-carboxylate is CCCC[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(O)CCC)C1.
What is the InChIKey of tert-butyl (2R,4S)-4-butyl-2-(2-hydroxypentan-2-yl)piperidine-1-carboxylate?
The InChIKey is ARKWAELTVWPBSA-GWFKTICUSA-N. The full InChI is InChI=1S/C19H37NO3/c1-7-9-10-15-11-13-20(17(21)23-18(3,4)5)16(14-15)19(6,22)12-8-2/h15-16,22H,7-14H2,1-6H3/t15-,16+,19?/m0/s1.
What are the key properties of tert-butyl (2R,4S)-4-butyl-2-(2-hydroxypentan-2-yl)piperidine-1-carboxylate?
tert-butyl (2R,4S)-4-butyl-2-(2-hydroxypentan-2-yl)piperidine-1-carboxylate has a molecular weight of 327.51 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,4S)-4-butyl-2-(2-hydroxypentan-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 143875824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).