[(6R)-1-methyl-1,4-diazepan-6-yl]methanol

C7H16N2O — CID 92669951

IUPAC[(6R)-1-methyl-1,4-diazepan-6-yl]methanol
SMILESCN1CCNC[C@@H](CO)C1
InChIInChI=1S/C7H16N2O/c1-9-3-2-8-4-7(5-9)6-10/h7-8,10H,2-6H2,1H3/t7-/m1/s1
InChIKeyCUIRRVACBQLGDI-SSDOTTSWSA-N
MW144.22 g/mol
LogP-0.87
Rot. Bonds1

About [(6R)-1-methyl-1,4-diazepan-6-yl]methanol

[(6R)-1-methyl-1,4-diazepan-6-yl]methanol (PubChem CID 92669951) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is [(6R)-1-methyl-1,4-diazepan-6-yl]methanol.

Molecular Properties

Compound Name[(6R)-1-methyl-1,4-diazepan-6-yl]methanol
PubChem CID92669951
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name[(6R)-1-methyl-1,4-diazepan-6-yl]methanol
SMILESCN1CCNC[C@@H](CO)C1
InChIInChI=1S/C7H16N2O/c1-9-3-2-8-4-7(5-9)6-10/h7-8,10H,2-6H2,1H3/t7-/m1/s1
InChIKeyCUIRRVACBQLGDI-SSDOTTSWSA-N
XLogP-0.87
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(6S)-1-methyl-1,4-diazepan-6-yl]methanol
CID 92669953
1,4,7-triazecan-9-ylmethanol
CID 102398679
N-[(1-methylpyrrolidin-3-yl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 115208872
[(2R)-1-methylpiperazin-2-yl]methanol
CID 51669493
1-methyl-1,4-diazepane-6-carboxylic acid
CID 23090475
[4-methyl-1-(pyrrolidin-3-ylmethyl)piperazin-2-yl]methanol
CID 83821345
[(2R)-1-methylpiperazin-2-yl]methanol;dihydrochloride
CID 68807416
(1-methylpiperazin-2-yl)methanol;dihydrochloride
CID 57481582
[(6S)-1-benzyl-1,4-diazepan-6-yl]methanol
CID 86314075
ethane;1-methylpiperazine
CID 91350928
alumane;1-methylpiperazine
CID 173336720
1-methylpiperazine;hydrate
CID 23128681

Frequently Asked Questions

What is the IUPAC name of [(6R)-1-methyl-1,4-diazepan-6-yl]methanol?
The IUPAC name of [(6R)-1-methyl-1,4-diazepan-6-yl]methanol (CID 92669951) is [(6R)-1-methyl-1,4-diazepan-6-yl]methanol.
What is the SMILES notation for [(6R)-1-methyl-1,4-diazepan-6-yl]methanol?
The canonical SMILES for [(6R)-1-methyl-1,4-diazepan-6-yl]methanol is CN1CCNC[C@@H](CO)C1.
What is the InChIKey of [(6R)-1-methyl-1,4-diazepan-6-yl]methanol?
The InChIKey is CUIRRVACBQLGDI-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H16N2O/c1-9-3-2-8-4-7(5-9)6-10/h7-8,10H,2-6H2,1H3/t7-/m1/s1.
What are the key properties of [(6R)-1-methyl-1,4-diazepan-6-yl]methanol?
[(6R)-1-methyl-1,4-diazepan-6-yl]methanol has a molecular weight of 144.22 g/mol, XLogP of -0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-1-methyl-1,4-diazepan-6-yl]methanol is sourced from PubChem (CID 92669951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).