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

C15H31NO2 — CID 162854790

IUPAC(2S)-1-[(2S,6S)-6-[(2S)-2-hydroxybutyl]piperidin-2-yl]hexan-2-ol
SMILESCCCC[C@H](O)C[C@@H]1CCC[C@@H](C[C@@H](O)CC)N1
InChIInChI=1S/C15H31NO2/c1-3-5-9-15(18)11-13-8-6-7-12(16-13)10-14(17)4-2/h12-18H,3-11H2,1-2H3/t12-,13-,14-,15-/m0/s1
InChIKeyRXJHXBORQMLXBV-AJNGGQMLSA-N
MW257.42 g/mol
LogP2.60
Rot. Bonds8

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

(2S)-1-[(2S,6S)-6-[(2S)-2-hydroxybutyl]piperidin-2-yl]hexan-2-ol (PubChem CID 162854790) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is (2S)-1-[(2S,6S)-6-[(2S)-2-hydroxybutyl]piperidin-2-yl]hexan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(2S,6S)-6-[(2S)-2-hydroxybutyl]piperidin-2-yl]hexan-2-ol
PubChem CID162854790
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name(2S)-1-[(2S,6S)-6-[(2S)-2-hydroxybutyl]piperidin-2-yl]hexan-2-ol
SMILESCCCC[C@H](O)C[C@@H]1CCC[C@@H](C[C@@H](O)CC)N1
InChIInChI=1S/C15H31NO2/c1-3-5-9-15(18)11-13-8-6-7-12(16-13)10-14(17)4-2/h12-18H,3-11H2,1-2H3/t12-,13-,14-,15-/m0/s1
InChIKeyRXJHXBORQMLXBV-AJNGGQMLSA-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

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S,6S)-6-[(2S)-2-hydroxybutyl]piperidin-2-yl]hexan-2-ol?
The IUPAC name of (2S)-1-[(2S,6S)-6-[(2S)-2-hydroxybutyl]piperidin-2-yl]hexan-2-ol (CID 162854790) is (2S)-1-[(2S,6S)-6-[(2S)-2-hydroxybutyl]piperidin-2-yl]hexan-2-ol.
What is the SMILES notation for (2S)-1-[(2S,6S)-6-[(2S)-2-hydroxybutyl]piperidin-2-yl]hexan-2-ol?
The canonical SMILES for (2S)-1-[(2S,6S)-6-[(2S)-2-hydroxybutyl]piperidin-2-yl]hexan-2-ol is CCCC[C@H](O)C[C@@H]1CCC[C@@H](C[C@@H](O)CC)N1.
What is the InChIKey of (2S)-1-[(2S,6S)-6-[(2S)-2-hydroxybutyl]piperidin-2-yl]hexan-2-ol?
The InChIKey is RXJHXBORQMLXBV-AJNGGQMLSA-N. The full InChI is InChI=1S/C15H31NO2/c1-3-5-9-15(18)11-13-8-6-7-12(16-13)10-14(17)4-2/h12-18H,3-11H2,1-2H3/t12-,13-,14-,15-/m0/s1.
What are the key properties of (2S)-1-[(2S,6S)-6-[(2S)-2-hydroxybutyl]piperidin-2-yl]hexan-2-ol?
(2S)-1-[(2S,6S)-6-[(2S)-2-hydroxybutyl]piperidin-2-yl]hexan-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-[(2S,6S)-6-[(2S)-2-hydroxybutyl]piperidin-2-yl]hexan-2-ol is sourced from PubChem (CID 162854790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).