(2S,4S)-1-(3-hydroxy-2-methylpropyl)-2-methylpiperidin-4-ol

C10H21NO2 — CID 131020094

IUPAC(2S,4S)-1-(3-hydroxy-2-methylpropyl)-2-methylpiperidin-4-ol
SMILESCC(CO)CN1CC[C@H](O)C[C@@H]1C
InChIInChI=1S/C10H21NO2/c1-8(7-12)6-11-4-3-10(13)5-9(11)2/h8-10,12-13H,3-7H2,1-2H3/t8?,9-,10-/m0/s1
InChIKeyBNVKKFDIBAUCOV-AGROOBSYSA-N
MW187.28 g/mol
LogP0.46
Rot. Bonds3

About (2S,4S)-1-(3-hydroxy-2-methylpropyl)-2-methylpiperidin-4-ol

(2S,4S)-1-(3-hydroxy-2-methylpropyl)-2-methylpiperidin-4-ol (PubChem CID 131020094) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is (2S,4S)-1-(3-hydroxy-2-methylpropyl)-2-methylpiperidin-4-ol.

Molecular Properties

Compound Name(2S,4S)-1-(3-hydroxy-2-methylpropyl)-2-methylpiperidin-4-ol
PubChem CID131020094
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name(2S,4S)-1-(3-hydroxy-2-methylpropyl)-2-methylpiperidin-4-ol
SMILESCC(CO)CN1CC[C@H](O)C[C@@H]1C
InChIInChI=1S/C10H21NO2/c1-8(7-12)6-11-4-3-10(13)5-9(11)2/h8-10,12-13H,3-7H2,1-2H3/t8?,9-,10-/m0/s1
InChIKeyBNVKKFDIBAUCOV-AGROOBSYSA-N
XLogP0.46
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-methyl-3-[(2R)-2-methylpiperidin-1-yl]propan-1-ol
CID 51777105
2-(4-hydroxy-2-methylpiperidin-1-yl)acetonitrile
CID 126990859
(2S,4S)-2,4-dimethyl-1-(2-methylbutyl)piperidine
CID 130645010
1-butyl-2-methylpiperidin-4-ol
CID 119028950
2-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol
CID 103878593
1-[(4-cyclopropylcyclohexyl)methyl]-2-methylpiperidin-4-ol
CID 155302701
(2R)-1-(2,4-dimethylpiperidin-1-yl)propan-2-ol
CID 103935109
1-[(2S,4S)-4-(hydroxymethyl)-2-methylpiperidin-1-yl]propan-2-ol
CID 131165895
4-[(2S,4S)-4-hydroxy-2-methylpiperidin-1-yl]butan-2-one
CID 126987742
(2S)-4-fluoro-2-methyl-1-(2-methylpropyl)piperidine
CID 171752860
2-methyl-1-(2-methylpropyl)piperidine-4-carboxylic acid
CID 106745002
1-(2,4-dimethylpiperidin-1-yl)propan-2-amine
CID 62331948

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-(3-hydroxy-2-methylpropyl)-2-methylpiperidin-4-ol?
The IUPAC name of (2S,4S)-1-(3-hydroxy-2-methylpropyl)-2-methylpiperidin-4-ol (CID 131020094) is (2S,4S)-1-(3-hydroxy-2-methylpropyl)-2-methylpiperidin-4-ol.
What is the SMILES notation for (2S,4S)-1-(3-hydroxy-2-methylpropyl)-2-methylpiperidin-4-ol?
The canonical SMILES for (2S,4S)-1-(3-hydroxy-2-methylpropyl)-2-methylpiperidin-4-ol is CC(CO)CN1CC[C@H](O)C[C@@H]1C.
What is the InChIKey of (2S,4S)-1-(3-hydroxy-2-methylpropyl)-2-methylpiperidin-4-ol?
The InChIKey is BNVKKFDIBAUCOV-AGROOBSYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-8(7-12)6-11-4-3-10(13)5-9(11)2/h8-10,12-13H,3-7H2,1-2H3/t8?,9-,10-/m0/s1.
What are the key properties of (2S,4S)-1-(3-hydroxy-2-methylpropyl)-2-methylpiperidin-4-ol?
(2S,4S)-1-(3-hydroxy-2-methylpropyl)-2-methylpiperidin-4-ol has a molecular weight of 187.28 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-(3-hydroxy-2-methylpropyl)-2-methylpiperidin-4-ol is sourced from PubChem (CID 131020094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).