6-(hydroxymethyl)azepan-4-ol

C7H15NO2 — CID 164538726

IUPAC6-(hydroxymethyl)azepan-4-ol
SMILESOCC1CNCCC(O)C1
InChIInChI=1S/C7H15NO2/c9-5-6-3-7(10)1-2-8-4-6/h6-10H,1-5H2
InChIKeyHZERPOLXIOTDCM-UHFFFAOYSA-N
MW145.20 g/mol
LogP-0.66
Rot. Bonds1

About 6-(hydroxymethyl)azepan-4-ol

6-(hydroxymethyl)azepan-4-ol (PubChem CID 164538726) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 6-(hydroxymethyl)azepan-4-ol.

Molecular Properties

Compound Name6-(hydroxymethyl)azepan-4-ol
PubChem CID164538726
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name6-(hydroxymethyl)azepan-4-ol
SMILESOCC1CNCCC(O)C1
InChIInChI=1S/C7H15NO2/c9-5-6-3-7(10)1-2-8-4-6/h6-10H,1-5H2
InChIKeyHZERPOLXIOTDCM-UHFFFAOYSA-N
XLogP-0.66
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,5S)-5-(hydroxymethyl)piperidin-3-ol
CID 55287998
(3S)-5-(hydroxymethyl)piperidin-3-ol
CID 59011067
ethane;5-(hydroxymethyl)piperidin-3-ol
CID 143590323
1,4,7-triazecan-9-ylmethanol
CID 102398679
trans-(1R,3R)-3-(hydroxymethyl)cyclopentan-1-ol
CID 45098984
piperidin-3-ylmethanol
CID 161361606
(3R,4S,6S)-6-(hydroxymethyl)azepane-3,4-diol
CID 10997956
pyrrolidin-3-ol;yttrium
CID 171793712
pyrrolidin-3-ol;uranium
CID 143428396
pyrrolidine;(3S)-pyrrolidin-3-ol
CID 67190741
3-(hydroxymethyl)cyclobutan-1-ol
CID 14045176
1,7-diazacyclopentadecane-4,10,13-triol
CID 174313060

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)azepan-4-ol?
The IUPAC name of 6-(hydroxymethyl)azepan-4-ol (CID 164538726) is 6-(hydroxymethyl)azepan-4-ol.
What is the SMILES notation for 6-(hydroxymethyl)azepan-4-ol?
The canonical SMILES for 6-(hydroxymethyl)azepan-4-ol is OCC1CNCCC(O)C1.
What is the InChIKey of 6-(hydroxymethyl)azepan-4-ol?
The InChIKey is HZERPOLXIOTDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c9-5-6-3-7(10)1-2-8-4-6/h6-10H,1-5H2.
What are the key properties of 6-(hydroxymethyl)azepan-4-ol?
6-(hydroxymethyl)azepan-4-ol has a molecular weight of 145.20 g/mol, XLogP of -0.66, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)azepan-4-ol is sourced from PubChem (CID 164538726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).