4-(hydroxymethyl)-6-azabicyclo[3.1.1]heptan-2-ol

C7H13NO2 — CID 176808725

IUPAC4-(hydroxymethyl)-6-azabicyclo[3.1.1]heptan-2-ol
SMILESOCC1CC(O)C2CC1N2
InChIInChI=1S/C7H13NO2/c9-3-4-1-7(10)6-2-5(4)8-6/h4-10H,1-3H2
InChIKeyNNSFTLHORGVZKE-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.91
Rot. Bonds1

About 4-(hydroxymethyl)-6-azabicyclo[3.1.1]heptan-2-ol

4-(hydroxymethyl)-6-azabicyclo[3.1.1]heptan-2-ol (PubChem CID 176808725) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 4-(hydroxymethyl)-6-azabicyclo[3.1.1]heptan-2-ol.

Molecular Properties

Compound Name4-(hydroxymethyl)-6-azabicyclo[3.1.1]heptan-2-ol
PubChem CID176808725
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name4-(hydroxymethyl)-6-azabicyclo[3.1.1]heptan-2-ol
SMILESOCC1CC(O)C2CC1N2
InChIInChI=1S/C7H13NO2/c9-3-4-1-7(10)6-2-5(4)8-6/h4-10H,1-3H2
InChIKeyNNSFTLHORGVZKE-UHFFFAOYSA-N
XLogP-0.91
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methyl-8-azabicyclo[3.2.1]octan-6-yl)methanol
CID 123338308
5-(hydroxymethyl)cyclohexane-1,2,4-triol
CID 148585059
cis-(1S,4R)-4-amino-2-(hydroxymethyl)cyclopentan-1-ol
CID 134358361
(1S,2R,4S,5R)-5-(hydroxymethyl)bicyclo[2.2.1]heptan-2-ol
CID 131196259
(1S,2S,3R,4R)-4-(hydroxymethyl)cyclopentane-1,2,3-triol
CID 10920662
[(2S)-2-(hydroxymethyl)cyclopropyl]methanol
CID 67842260
4-(hydroxymethyl)cyclopentane-1,3-diol
CID 57158544
(1S,3R,4R)-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
CID 176819979
(1S,2R,3R,5S,6R)-8-azabicyclo[3.2.1]octane-2,3,6-triol
CID 11030102
(1S,2S,3S,4S,5R)-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
CID 11332802
[(1R,2R,4R,5R)-5-(hydroxymethyl)-2-bicyclo[2.2.2]octanyl]methanol
CID 130977937
2-(hydroxymethyl)cyclohexane-1,4-diol
CID 130149312

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-6-azabicyclo[3.1.1]heptan-2-ol?
The IUPAC name of 4-(hydroxymethyl)-6-azabicyclo[3.1.1]heptan-2-ol (CID 176808725) is 4-(hydroxymethyl)-6-azabicyclo[3.1.1]heptan-2-ol.
What is the SMILES notation for 4-(hydroxymethyl)-6-azabicyclo[3.1.1]heptan-2-ol?
The canonical SMILES for 4-(hydroxymethyl)-6-azabicyclo[3.1.1]heptan-2-ol is OCC1CC(O)C2CC1N2.
What is the InChIKey of 4-(hydroxymethyl)-6-azabicyclo[3.1.1]heptan-2-ol?
The InChIKey is NNSFTLHORGVZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c9-3-4-1-7(10)6-2-5(4)8-6/h4-10H,1-3H2.
What are the key properties of 4-(hydroxymethyl)-6-azabicyclo[3.1.1]heptan-2-ol?
4-(hydroxymethyl)-6-azabicyclo[3.1.1]heptan-2-ol has a molecular weight of 143.19 g/mol, XLogP of -0.91, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-6-azabicyclo[3.1.1]heptan-2-ol is sourced from PubChem (CID 176808725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).