(2R)-1-[(2S,6R)-6-[(2S)-2-hydroxypentyl]-1-methylpiperidin-2-yl]pentan-2-ol

C16H33NO2 — CID 15838350

IUPAC(2R)-1-[(2S,6R)-6-[(2S)-2-hydroxypentyl]-1-methylpiperidin-2-yl]pentan-2-ol
SMILESCCC[C@@H](O)C[C@@H]1CCC[C@H](C[C@@H](O)CCC)N1C
InChIInChI=1S/C16H33NO2/c1-4-7-15(18)11-13-9-6-10-14(17(13)3)12-16(19)8-5-2/h13-16,18-19H,4-12H2,1-3H3/t13-,14+,15+,16-
InChIKeyBEHRYCYNRCQBOK-SYMSYNOKSA-N
MW271.44 g/mol
LogP2.94
Rot. Bonds8

About (2R)-1-[(2S,6R)-6-[(2S)-2-hydroxypentyl]-1-methylpiperidin-2-yl]pentan-2-ol

(2R)-1-[(2S,6R)-6-[(2S)-2-hydroxypentyl]-1-methylpiperidin-2-yl]pentan-2-ol (PubChem CID 15838350) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is (2R)-1-[(2S,6R)-6-[(2S)-2-hydroxypentyl]-1-methylpiperidin-2-yl]pentan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2S,6R)-6-[(2S)-2-hydroxypentyl]-1-methylpiperidin-2-yl]pentan-2-ol
PubChem CID15838350
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC Name(2R)-1-[(2S,6R)-6-[(2S)-2-hydroxypentyl]-1-methylpiperidin-2-yl]pentan-2-ol
SMILESCCC[C@@H](O)C[C@@H]1CCC[C@H](C[C@@H](O)CCC)N1C
InChIInChI=1S/C16H33NO2/c1-4-7-15(18)11-13-9-6-10-14(17(13)3)12-16(19)8-5-2/h13-16,18-19H,4-12H2,1-3H3/t13-,14+,15+,16-
InChIKeyBEHRYCYNRCQBOK-SYMSYNOKSA-N
XLogP2.94
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2S,6R)-6-[(2S)-2-hydroxypentyl]-1-methylpiperidin-2-yl]pentan-2-ol?
The IUPAC name of (2R)-1-[(2S,6R)-6-[(2S)-2-hydroxypentyl]-1-methylpiperidin-2-yl]pentan-2-ol (CID 15838350) is (2R)-1-[(2S,6R)-6-[(2S)-2-hydroxypentyl]-1-methylpiperidin-2-yl]pentan-2-ol.
What is the SMILES notation for (2R)-1-[(2S,6R)-6-[(2S)-2-hydroxypentyl]-1-methylpiperidin-2-yl]pentan-2-ol?
The canonical SMILES for (2R)-1-[(2S,6R)-6-[(2S)-2-hydroxypentyl]-1-methylpiperidin-2-yl]pentan-2-ol is CCC[C@@H](O)C[C@@H]1CCC[C@H](C[C@@H](O)CCC)N1C.
What is the InChIKey of (2R)-1-[(2S,6R)-6-[(2S)-2-hydroxypentyl]-1-methylpiperidin-2-yl]pentan-2-ol?
The InChIKey is BEHRYCYNRCQBOK-SYMSYNOKSA-N. The full InChI is InChI=1S/C16H33NO2/c1-4-7-15(18)11-13-9-6-10-14(17(13)3)12-16(19)8-5-2/h13-16,18-19H,4-12H2,1-3H3/t13-,14+,15+,16-.
What are the key properties of (2R)-1-[(2S,6R)-6-[(2S)-2-hydroxypentyl]-1-methylpiperidin-2-yl]pentan-2-ol?
(2R)-1-[(2S,6R)-6-[(2S)-2-hydroxypentyl]-1-methylpiperidin-2-yl]pentan-2-ol has a molecular weight of 271.44 g/mol, XLogP of 2.94, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2S,6R)-6-[(2S)-2-hydroxypentyl]-1-methylpiperidin-2-yl]pentan-2-ol is sourced from PubChem (CID 15838350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).