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

C13H27NO2 — CID 135038592

IUPAC2-[(2S,6S)-6-(2-hydroxyethyl)-2-methylpiperidin-2-yl]pentan-1-ol
SMILESCCCC(CO)[C@]1(C)CCC[C@@H](CCO)N1
InChIInChI=1S/C13H27NO2/c1-3-5-11(10-16)13(2)8-4-6-12(14-13)7-9-15/h11-12,14-16H,3-10H2,1-2H3/t11?,12-,13-/m0/s1
InChIKeyAEVMJQOGQFVBAI-SPOOISQMSA-N
MW229.36 g/mol
LogP1.68
Rot. Bonds6

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

2-[(2S,6S)-6-(2-hydroxyethyl)-2-methylpiperidin-2-yl]pentan-1-ol (PubChem CID 135038592) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2-[(2S,6S)-6-(2-hydroxyethyl)-2-methylpiperidin-2-yl]pentan-1-ol.

Molecular Properties

Compound Name2-[(2S,6S)-6-(2-hydroxyethyl)-2-methylpiperidin-2-yl]pentan-1-ol
PubChem CID135038592
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2-[(2S,6S)-6-(2-hydroxyethyl)-2-methylpiperidin-2-yl]pentan-1-ol
SMILESCCCC(CO)[C@]1(C)CCC[C@@H](CCO)N1
InChIInChI=1S/C13H27NO2/c1-3-5-11(10-16)13(2)8-4-6-12(14-13)7-9-15/h11-12,14-16H,3-10H2,1-2H3/t11?,12-,13-/m0/s1
InChIKeyAEVMJQOGQFVBAI-SPOOISQMSA-N
XLogP1.68
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,6S)-6-(2-hydroxyethyl)-2-methylpiperidin-2-yl]pentan-1-ol?
The IUPAC name of 2-[(2S,6S)-6-(2-hydroxyethyl)-2-methylpiperidin-2-yl]pentan-1-ol (CID 135038592) is 2-[(2S,6S)-6-(2-hydroxyethyl)-2-methylpiperidin-2-yl]pentan-1-ol.
What is the SMILES notation for 2-[(2S,6S)-6-(2-hydroxyethyl)-2-methylpiperidin-2-yl]pentan-1-ol?
The canonical SMILES for 2-[(2S,6S)-6-(2-hydroxyethyl)-2-methylpiperidin-2-yl]pentan-1-ol is CCCC(CO)[C@]1(C)CCC[C@@H](CCO)N1.
What is the InChIKey of 2-[(2S,6S)-6-(2-hydroxyethyl)-2-methylpiperidin-2-yl]pentan-1-ol?
The InChIKey is AEVMJQOGQFVBAI-SPOOISQMSA-N. The full InChI is InChI=1S/C13H27NO2/c1-3-5-11(10-16)13(2)8-4-6-12(14-13)7-9-15/h11-12,14-16H,3-10H2,1-2H3/t11?,12-,13-/m0/s1.
What are the key properties of 2-[(2S,6S)-6-(2-hydroxyethyl)-2-methylpiperidin-2-yl]pentan-1-ol?
2-[(2S,6S)-6-(2-hydroxyethyl)-2-methylpiperidin-2-yl]pentan-1-ol has a molecular weight of 229.36 g/mol, XLogP of 1.68, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,6S)-6-(2-hydroxyethyl)-2-methylpiperidin-2-yl]pentan-1-ol is sourced from PubChem (CID 135038592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).