2-[4-(oxolan-3-ylmethyl)-1,4-diazepan-1-yl]ethanol

C12H24N2O2 — CID 63312870

IUPAC2-[4-(oxolan-3-ylmethyl)-1,4-diazepan-1-yl]ethanol
SMILESOCCN1CCCN(CC2CCOC2)CC1
InChIInChI=1S/C12H24N2O2/c15-8-7-13-3-1-4-14(6-5-13)10-12-2-9-16-11-12/h12,15H,1-11H2
InChIKeyHFBVZORDRPSLOF-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.02
Rot. Bonds4

About 2-[4-(oxolan-3-ylmethyl)-1,4-diazepan-1-yl]ethanol

2-[4-(oxolan-3-ylmethyl)-1,4-diazepan-1-yl]ethanol (PubChem CID 63312870) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-[4-(oxolan-3-ylmethyl)-1,4-diazepan-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(oxolan-3-ylmethyl)-1,4-diazepan-1-yl]ethanol
PubChem CID63312870
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-[4-(oxolan-3-ylmethyl)-1,4-diazepan-1-yl]ethanol
SMILESOCCN1CCCN(CC2CCOC2)CC1
InChIInChI=1S/C12H24N2O2/c15-8-7-13-3-1-4-14(6-5-13)10-12-2-9-16-11-12/h12,15H,1-11H2
InChIKeyHFBVZORDRPSLOF-UHFFFAOYSA-N
XLogP0.02
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(oxolan-3-ylmethyl)pyrrolidine
CID 66580688
2-[4-(cyclobutylmethyl)piperazin-1-yl]ethanol
CID 65462860
1-(oxan-3-ylmethyl)pyrrolidine
CID 91805344
2-[4-[[(3R)-oxolan-3-yl]methylsulfonyl]piperazin-1-yl]ethanol
CID 97217854
4-(oxolan-3-ylmethyl)piperazine-1-carbodithioic acid
CID 155294676
2-[4-(oxan-3-yl)-1,4-diazepan-1-yl]ethanol
CID 103857800
[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(oxolan-3-yl)methanone
CID 55204831
3-methyl-1-(oxolan-3-ylmethyl)piperidine
CID 77147821
2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethanol
CID 94190741
3-methyl-1-(oxolan-3-ylmethyl)piperidin-3-ol
CID 115873758
2-[4-(oxan-4-ylmethyl)piperazin-1-yl]ethanamine
CID 62385284
2-[1-(oxolan-3-ylmethyl)piperidin-3-yl]acetic acid
CID 62690444

Frequently Asked Questions

What is the IUPAC name of 2-[4-(oxolan-3-ylmethyl)-1,4-diazepan-1-yl]ethanol?
The IUPAC name of 2-[4-(oxolan-3-ylmethyl)-1,4-diazepan-1-yl]ethanol (CID 63312870) is 2-[4-(oxolan-3-ylmethyl)-1,4-diazepan-1-yl]ethanol.
What is the SMILES notation for 2-[4-(oxolan-3-ylmethyl)-1,4-diazepan-1-yl]ethanol?
The canonical SMILES for 2-[4-(oxolan-3-ylmethyl)-1,4-diazepan-1-yl]ethanol is OCCN1CCCN(CC2CCOC2)CC1.
What is the InChIKey of 2-[4-(oxolan-3-ylmethyl)-1,4-diazepan-1-yl]ethanol?
The InChIKey is HFBVZORDRPSLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c15-8-7-13-3-1-4-14(6-5-13)10-12-2-9-16-11-12/h12,15H,1-11H2.
What are the key properties of 2-[4-(oxolan-3-ylmethyl)-1,4-diazepan-1-yl]ethanol?
2-[4-(oxolan-3-ylmethyl)-1,4-diazepan-1-yl]ethanol has a molecular weight of 228.34 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(oxolan-3-ylmethyl)-1,4-diazepan-1-yl]ethanol is sourced from PubChem (CID 63312870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).