1-[[(2S,3S,5S)-3,4,4,5-tetra(propan-2-yl)oxolan-2-yl]methyl]piperidine

C22H43NO — CID 70350899

IUPAC1-[[(2S,3S,5S)-3,4,4,5-tetra(propan-2-yl)oxolan-2-yl]methyl]piperidine
SMILESCC(C)[C@@H]1[C@@H](CN2CCCCC2)O[C@@H](C(C)C)C1(C(C)C)C(C)C
InChIInChI=1S/C22H43NO/c1-15(2)20-19(14-23-12-10-9-11-13-23)24-21(16(3)4)22(20,17(5)6)18(7)8/h15-21H,9-14H2,1-8H3/t19-,20-,21+/m1/s1
InChIKeyZYLXZJQBQPRRFR-NJYVYQBISA-N
MW337.59 g/mol
LogP5.47
Rot. Bonds6

About 1-[[(2S,3S,5S)-3,4,4,5-tetra(propan-2-yl)oxolan-2-yl]methyl]piperidine

1-[[(2S,3S,5S)-3,4,4,5-tetra(propan-2-yl)oxolan-2-yl]methyl]piperidine (PubChem CID 70350899) has the molecular formula C22H43NO and a molecular weight of 337.59 g/mol. Its IUPAC name is 1-[[(2S,3S,5S)-3,4,4,5-tetra(propan-2-yl)oxolan-2-yl]methyl]piperidine.

Molecular Properties

Compound Name1-[[(2S,3S,5S)-3,4,4,5-tetra(propan-2-yl)oxolan-2-yl]methyl]piperidine
PubChem CID70350899
Molecular FormulaC22H43NO
Molecular Weight337.59 g/mol
Exact Mass337.33
IUPAC Name1-[[(2S,3S,5S)-3,4,4,5-tetra(propan-2-yl)oxolan-2-yl]methyl]piperidine
SMILESCC(C)[C@@H]1[C@@H](CN2CCCCC2)O[C@@H](C(C)C)C1(C(C)C)C(C)C
InChIInChI=1S/C22H43NO/c1-15(2)20-19(14-23-12-10-9-11-13-23)24-21(16(3)4)22(20,17(5)6)18(7)8/h15-21H,9-14H2,1-8H3/t19-,20-,21+/m1/s1
InChIKeyZYLXZJQBQPRRFR-NJYVYQBISA-N
XLogP5.47
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.59
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2S,3S,5S)-3,4,4,5-tetra(propan-2-yl)oxolan-2-yl]methyl]piperidine?
The IUPAC name of 1-[[(2S,3S,5S)-3,4,4,5-tetra(propan-2-yl)oxolan-2-yl]methyl]piperidine (CID 70350899) is 1-[[(2S,3S,5S)-3,4,4,5-tetra(propan-2-yl)oxolan-2-yl]methyl]piperidine.
What is the SMILES notation for 1-[[(2S,3S,5S)-3,4,4,5-tetra(propan-2-yl)oxolan-2-yl]methyl]piperidine?
The canonical SMILES for 1-[[(2S,3S,5S)-3,4,4,5-tetra(propan-2-yl)oxolan-2-yl]methyl]piperidine is CC(C)[C@@H]1[C@@H](CN2CCCCC2)O[C@@H](C(C)C)C1(C(C)C)C(C)C.
What is the InChIKey of 1-[[(2S,3S,5S)-3,4,4,5-tetra(propan-2-yl)oxolan-2-yl]methyl]piperidine?
The InChIKey is ZYLXZJQBQPRRFR-NJYVYQBISA-N. The full InChI is InChI=1S/C22H43NO/c1-15(2)20-19(14-23-12-10-9-11-13-23)24-21(16(3)4)22(20,17(5)6)18(7)8/h15-21H,9-14H2,1-8H3/t19-,20-,21+/m1/s1.
What are the key properties of 1-[[(2S,3S,5S)-3,4,4,5-tetra(propan-2-yl)oxolan-2-yl]methyl]piperidine?
1-[[(2S,3S,5S)-3,4,4,5-tetra(propan-2-yl)oxolan-2-yl]methyl]piperidine has a molecular weight of 337.59 g/mol, XLogP of 5.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S,3S,5S)-3,4,4,5-tetra(propan-2-yl)oxolan-2-yl]methyl]piperidine is sourced from PubChem (CID 70350899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).