2-tert-butyl-4,6-bis(hydroxymethyl)piperidin-3-ol

C11H23NO3 — CID 163118409

IUPAC2-tert-butyl-4,6-bis(hydroxymethyl)piperidin-3-ol
SMILESCC(C)(C)C1NC(CO)CC(CO)C1O
InChIInChI=1S/C11H23NO3/c1-11(2,3)10-9(15)7(5-13)4-8(6-14)12-10/h7-10,12-15H,4-6H2,1-3H3
InChIKeyLRQDPXALNRGGQO-UHFFFAOYSA-N
MW217.31 g/mol
LogP-0.28
Rot. Bonds2

About 2-tert-butyl-4,6-bis(hydroxymethyl)piperidin-3-ol

2-tert-butyl-4,6-bis(hydroxymethyl)piperidin-3-ol (PubChem CID 163118409) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-tert-butyl-4,6-bis(hydroxymethyl)piperidin-3-ol.

Molecular Properties

Compound Name2-tert-butyl-4,6-bis(hydroxymethyl)piperidin-3-ol
PubChem CID163118409
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name2-tert-butyl-4,6-bis(hydroxymethyl)piperidin-3-ol
SMILESCC(C)(C)C1NC(CO)CC(CO)C1O
InChIInChI=1S/C11H23NO3/c1-11(2,3)10-9(15)7(5-13)4-8(6-14)12-10/h7-10,12-15H,4-6H2,1-3H3
InChIKeyLRQDPXALNRGGQO-UHFFFAOYSA-N
XLogP-0.28
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 5-0.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3R,5S)-5-(hydroxymethyl)-2-methylpyrrolidin-3-ol
CID 59796283
(1S,2S,3R,4R)-4-(hydroxymethyl)cyclopentane-1,2,3-triol
CID 10920662
(5-tert-butylpyrrolidin-2-yl)methanol
CID 73079870
(1S,3R,4R)-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
CID 176819979
(1S,2S,3S,4S,5R)-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
CID 11332802
(2R,3S,6S)-4-(hydroxymethyl)-6-methylcyclohexane-1,2,3-triol
CID 89082502
(1R,2S,3R,4R,6S)-4-(hydroxymethyl)-6-methylcyclohexane-1,2,3-triol
CID 159801457
3-tert-butylcyclobutane-1,2-diol
CID 12791413
actinium;5-(hydroxymethyl)-3-methylcyclohexane-1,2,4-triol
CID 59933789
(1R,2R,3S,5S)-3-amino-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 18651921
(1R,2S,3S,5S)-3-amino-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 171920949
[(1S,3R,5S)-2-azabicyclo[3.1.0]hexan-3-yl]methanol
CID 141345236

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4,6-bis(hydroxymethyl)piperidin-3-ol?
The IUPAC name of 2-tert-butyl-4,6-bis(hydroxymethyl)piperidin-3-ol (CID 163118409) is 2-tert-butyl-4,6-bis(hydroxymethyl)piperidin-3-ol.
What is the SMILES notation for 2-tert-butyl-4,6-bis(hydroxymethyl)piperidin-3-ol?
The canonical SMILES for 2-tert-butyl-4,6-bis(hydroxymethyl)piperidin-3-ol is CC(C)(C)C1NC(CO)CC(CO)C1O.
What is the InChIKey of 2-tert-butyl-4,6-bis(hydroxymethyl)piperidin-3-ol?
The InChIKey is LRQDPXALNRGGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-11(2,3)10-9(15)7(5-13)4-8(6-14)12-10/h7-10,12-15H,4-6H2,1-3H3.
What are the key properties of 2-tert-butyl-4,6-bis(hydroxymethyl)piperidin-3-ol?
2-tert-butyl-4,6-bis(hydroxymethyl)piperidin-3-ol has a molecular weight of 217.31 g/mol, XLogP of -0.28, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4,6-bis(hydroxymethyl)piperidin-3-ol is sourced from PubChem (CID 163118409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).