1-(oxolan-3-ylmethyl)-1,4-diazepan-6-ol

C10H20N2O2 — CID 130542390

IUPAC1-(oxolan-3-ylmethyl)-1,4-diazepan-6-ol
SMILESOC1CNCCN(CC2CCOC2)C1
InChIInChI=1S/C10H20N2O2/c13-10-5-11-2-3-12(7-10)6-9-1-4-14-8-9/h9-11,13H,1-8H2
InChIKeyLCTHZMYMVPBCJJ-UHFFFAOYSA-N
MW200.28 g/mol
LogP-0.71
Rot. Bonds2

About 1-(oxolan-3-ylmethyl)-1,4-diazepan-6-ol

1-(oxolan-3-ylmethyl)-1,4-diazepan-6-ol (PubChem CID 130542390) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-(oxolan-3-ylmethyl)-1,4-diazepan-6-ol.

Molecular Properties

Compound Name1-(oxolan-3-ylmethyl)-1,4-diazepan-6-ol
PubChem CID130542390
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1-(oxolan-3-ylmethyl)-1,4-diazepan-6-ol
SMILESOC1CNCCN(CC2CCOC2)C1
InChIInChI=1S/C10H20N2O2/c13-10-5-11-2-3-12(7-10)6-9-1-4-14-8-9/h9-11,13H,1-8H2
InChIKeyLCTHZMYMVPBCJJ-UHFFFAOYSA-N
XLogP-0.71
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-1-(oxolan-3-ylmethyl)-1,4-diazepane
CID 62824558
3-methyl-1-(oxolan-3-ylmethyl)piperidin-4-ol
CID 114502613
1-(oxolan-3-ylmethyl)pyrrolidine
CID 66580688
[(2S)-4-(oxolan-3-ylmethyl)morpholin-2-yl]methanol
CID 130137885
morpholin-2-yl-[4-(oxolan-3-ylmethyl)piperazin-1-yl]methanone;dihydrochloride
CID 119897545
4-methyl-1-(oxan-4-ylmethyl)piperidin-3-ol
CID 103898114
3-methyl-1-(oxolan-3-ylmethyl)piperidine
CID 77147821
(4S)-2-(oxolan-3-ylmethyl)-1,2-oxazolidin-4-ol
CID 130523583
3-cyclopropyl-1-(oxan-3-ylmethyl)piperazine
CID 64952742
3-methyl-1-(oxan-4-ylmethyl)-1,5-diazocane
CID 63712685
(3R)-1-(piperidin-3-ylmethyl)pyrrolidin-3-ol;hydrochloride
CID 130662876
methyl 4-(oxolan-3-ylmethyl)morpholine-2-carboxylate
CID 78926397

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-ylmethyl)-1,4-diazepan-6-ol?
The IUPAC name of 1-(oxolan-3-ylmethyl)-1,4-diazepan-6-ol (CID 130542390) is 1-(oxolan-3-ylmethyl)-1,4-diazepan-6-ol.
What is the SMILES notation for 1-(oxolan-3-ylmethyl)-1,4-diazepan-6-ol?
The canonical SMILES for 1-(oxolan-3-ylmethyl)-1,4-diazepan-6-ol is OC1CNCCN(CC2CCOC2)C1.
What is the InChIKey of 1-(oxolan-3-ylmethyl)-1,4-diazepan-6-ol?
The InChIKey is LCTHZMYMVPBCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c13-10-5-11-2-3-12(7-10)6-9-1-4-14-8-9/h9-11,13H,1-8H2.
What are the key properties of 1-(oxolan-3-ylmethyl)-1,4-diazepan-6-ol?
1-(oxolan-3-ylmethyl)-1,4-diazepan-6-ol has a molecular weight of 200.28 g/mol, XLogP of -0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-ylmethyl)-1,4-diazepan-6-ol is sourced from PubChem (CID 130542390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).