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

C15H31NO2 — CID 11021533

IUPAC(2S)-1-[(2R,6S)-6-[(2R)-2-hydroxypentyl]piperidin-2-yl]pentan-2-ol
SMILESCCC[C@@H](O)C[C@@H]1CCC[C@H](C[C@@H](O)CCC)N1
InChIInChI=1S/C15H31NO2/c1-3-6-14(17)10-12-8-5-9-13(16-12)11-15(18)7-4-2/h12-18H,3-11H2,1-2H3/t12-,13+,14+,15-
InChIKeyYASYAQIAFYRYBX-PYHGIMPFSA-N
MW257.42 g/mol
LogP2.60
Rot. Bonds8

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

(2S)-1-[(2R,6S)-6-[(2R)-2-hydroxypentyl]piperidin-2-yl]pentan-2-ol (PubChem CID 11021533) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is (2S)-1-[(2R,6S)-6-[(2R)-2-hydroxypentyl]piperidin-2-yl]pentan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(2R,6S)-6-[(2R)-2-hydroxypentyl]piperidin-2-yl]pentan-2-ol
PubChem CID11021533
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name(2S)-1-[(2R,6S)-6-[(2R)-2-hydroxypentyl]piperidin-2-yl]pentan-2-ol
SMILESCCC[C@@H](O)C[C@@H]1CCC[C@H](C[C@@H](O)CCC)N1
InChIInChI=1S/C15H31NO2/c1-3-6-14(17)10-12-8-5-9-13(16-12)11-15(18)7-4-2/h12-18H,3-11H2,1-2H3/t12-,13+,14+,15-
InChIKeyYASYAQIAFYRYBX-PYHGIMPFSA-N
XLogP2.60
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-1-[(2R,6S)-6-[(2R)-2-hydroxypentyl]piperidin-2-yl]pentan-2-ol with MolForge

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Related Compounds

(2R)-1-[(2S,6R)-6-[(2R)-2-hydroxyhexyl]piperidin-2-yl]hexan-2-ol
CID 11108896
1-pyrrolidin-2-ylpentan-2-ol
CID 90756268
(2S)-1-[(2S,6S)-6-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]piperidin-2-yl]pentan-2-ol
CID 11551163
(3S)-1-[(2R,6R)-6-propylpiperidin-2-yl]heptan-3-ol
CID 10399452
1-piperidin-2-ylheptan-2-ol
CID 14021662
acetic acid;but-1-ene;ethane;methane;1-pyrrolidin-2-ylpentan-2-ol
CID 142059097
(2S)-1-[(2R,6S)-6-[(2S)-2-hydroxy-2-phenylethyl]piperidin-2-yl]butan-2-ol
CID 162974675
(2S)-1-[(2S,6R)-6-methylpiperidin-2-yl]propan-2-ol
CID 10866594
2-(2-hydroxyhexyl)cyclohexan-1-ol
CID 73083191
1-cyclobutylpentane-1,2-diol
CID 103454869
1-cyclopentylheptan-4-ol
CID 64516527
2-(2-ethylbutyl)-6-methylpiperidine
CID 106781072

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2R,6S)-6-[(2R)-2-hydroxypentyl]piperidin-2-yl]pentan-2-ol?
The IUPAC name of (2S)-1-[(2R,6S)-6-[(2R)-2-hydroxypentyl]piperidin-2-yl]pentan-2-ol (CID 11021533) is (2S)-1-[(2R,6S)-6-[(2R)-2-hydroxypentyl]piperidin-2-yl]pentan-2-ol.
What is the SMILES notation for (2S)-1-[(2R,6S)-6-[(2R)-2-hydroxypentyl]piperidin-2-yl]pentan-2-ol?
The canonical SMILES for (2S)-1-[(2R,6S)-6-[(2R)-2-hydroxypentyl]piperidin-2-yl]pentan-2-ol is CCC[C@@H](O)C[C@@H]1CCC[C@H](C[C@@H](O)CCC)N1.
What is the InChIKey of (2S)-1-[(2R,6S)-6-[(2R)-2-hydroxypentyl]piperidin-2-yl]pentan-2-ol?
The InChIKey is YASYAQIAFYRYBX-PYHGIMPFSA-N. The full InChI is InChI=1S/C15H31NO2/c1-3-6-14(17)10-12-8-5-9-13(16-12)11-15(18)7-4-2/h12-18H,3-11H2,1-2H3/t12-,13+,14+,15-.
What are the key properties of (2S)-1-[(2R,6S)-6-[(2R)-2-hydroxypentyl]piperidin-2-yl]pentan-2-ol?
(2S)-1-[(2R,6S)-6-[(2R)-2-hydroxypentyl]piperidin-2-yl]pentan-2-ol has a molecular weight of 257.42 g/mol, XLogP of 2.60, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2R,6S)-6-[(2R)-2-hydroxypentyl]piperidin-2-yl]pentan-2-ol is sourced from PubChem (CID 11021533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).