(2R)-1-[(2S,6R)-6-[(2R)-2-hydroxyhexyl]piperidin-2-yl]hexan-2-ol

C17H35NO2 — CID 11108896

IUPAC(2R)-1-[(2S,6R)-6-[(2R)-2-hydroxyhexyl]piperidin-2-yl]hexan-2-ol
SMILESCCCC[C@@H](O)C[C@H]1CCC[C@@H](C[C@H](O)CCCC)N1
InChIInChI=1S/C17H35NO2/c1-3-5-10-16(19)12-14-8-7-9-15(18-14)13-17(20)11-6-4-2/h14-20H,3-13H2,1-2H3/t14-,15+,16-,17-/m1/s1
InChIKeyBSSGOTKRPSZPGT-YYIAUSFCSA-N
MW285.47 g/mol
LogP3.38
Rot. Bonds10

About (2R)-1-[(2S,6R)-6-[(2R)-2-hydroxyhexyl]piperidin-2-yl]hexan-2-ol

(2R)-1-[(2S,6R)-6-[(2R)-2-hydroxyhexyl]piperidin-2-yl]hexan-2-ol (PubChem CID 11108896) has the molecular formula C17H35NO2 and a molecular weight of 285.47 g/mol. Its IUPAC name is (2R)-1-[(2S,6R)-6-[(2R)-2-hydroxyhexyl]piperidin-2-yl]hexan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2S,6R)-6-[(2R)-2-hydroxyhexyl]piperidin-2-yl]hexan-2-ol
PubChem CID11108896
Molecular FormulaC17H35NO2
Molecular Weight285.47 g/mol
Exact Mass285.27
IUPAC Name(2R)-1-[(2S,6R)-6-[(2R)-2-hydroxyhexyl]piperidin-2-yl]hexan-2-ol
SMILESCCCC[C@@H](O)C[C@H]1CCC[C@@H](C[C@H](O)CCCC)N1
InChIInChI=1S/C17H35NO2/c1-3-5-10-16(19)12-14-8-7-9-15(18-14)13-17(20)11-6-4-2/h14-20H,3-13H2,1-2H3/t14-,15+,16-,17-/m1/s1
InChIKeyBSSGOTKRPSZPGT-YYIAUSFCSA-N
XLogP3.38
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.47
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

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Related Compounds

(2S)-1-[(2R,6S)-6-[(2R)-2-hydroxypentyl]piperidin-2-yl]pentan-2-ol
CID 11021533
(3S)-1-[(2R,6R)-6-propylpiperidin-2-yl]heptan-3-ol
CID 10399452
1-piperidin-2-ylheptan-2-ol
CID 14021662
2-(2-hydroxyhexyl)cyclohexan-1-ol
CID 73083191
(2S)-1-[(2S,6S)-6-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]piperidin-2-yl]pentan-2-ol
CID 11551163
1-pyrrolidin-2-ylpentan-2-ol
CID 90756268
1-cycloheptyloctan-2-ol
CID 115783533
2-(2-ethylhexyl)-6-(trifluoromethyl)piperidine
CID 106777958
(2S)-1-[(2R,6S)-6-[(2S)-2-hydroxy-2-phenylethyl]piperidin-2-yl]butan-2-ol
CID 162974675
CID 172776718
CID 172776718
(2S,3R,4R,6R)-2-(hydroxymethyl)-6-[(2R)-2-hydroxytridecyl]piperidine-3,4-diol
CID 71698149
1-(oxolan-2-yl)heptan-2-ol
CID 62606693

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2S,6R)-6-[(2R)-2-hydroxyhexyl]piperidin-2-yl]hexan-2-ol?
The IUPAC name of (2R)-1-[(2S,6R)-6-[(2R)-2-hydroxyhexyl]piperidin-2-yl]hexan-2-ol (CID 11108896) is (2R)-1-[(2S,6R)-6-[(2R)-2-hydroxyhexyl]piperidin-2-yl]hexan-2-ol.
What is the SMILES notation for (2R)-1-[(2S,6R)-6-[(2R)-2-hydroxyhexyl]piperidin-2-yl]hexan-2-ol?
The canonical SMILES for (2R)-1-[(2S,6R)-6-[(2R)-2-hydroxyhexyl]piperidin-2-yl]hexan-2-ol is CCCC[C@@H](O)C[C@H]1CCC[C@@H](C[C@H](O)CCCC)N1.
What is the InChIKey of (2R)-1-[(2S,6R)-6-[(2R)-2-hydroxyhexyl]piperidin-2-yl]hexan-2-ol?
The InChIKey is BSSGOTKRPSZPGT-YYIAUSFCSA-N. The full InChI is InChI=1S/C17H35NO2/c1-3-5-10-16(19)12-14-8-7-9-15(18-14)13-17(20)11-6-4-2/h14-20H,3-13H2,1-2H3/t14-,15+,16-,17-/m1/s1.
What are the key properties of (2R)-1-[(2S,6R)-6-[(2R)-2-hydroxyhexyl]piperidin-2-yl]hexan-2-ol?
(2R)-1-[(2S,6R)-6-[(2R)-2-hydroxyhexyl]piperidin-2-yl]hexan-2-ol has a molecular weight of 285.47 g/mol, XLogP of 3.38, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2S,6R)-6-[(2R)-2-hydroxyhexyl]piperidin-2-yl]hexan-2-ol is sourced from PubChem (CID 11108896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).