[4-(2-morpholin-4-ylethyl)-1,4-diazepan-2-yl]methanol

C12H25N3O2 — CID 82243970

IUPAC[4-(2-morpholin-4-ylethyl)-1,4-diazepan-2-yl]methanol
SMILESOCC1CN(CCN2CCOCC2)CCCN1
InChIInChI=1S/C12H25N3O2/c16-11-12-10-15(3-1-2-13-12)5-4-14-6-8-17-9-7-14/h12-13,16H,1-11H2
InChIKeyLERYVPUCHKBGCP-UHFFFAOYSA-N
MW243.35 g/mol
LogP-1.03
Rot. Bonds4

About [4-(2-morpholin-4-ylethyl)-1,4-diazepan-2-yl]methanol

[4-(2-morpholin-4-ylethyl)-1,4-diazepan-2-yl]methanol (PubChem CID 82243970) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is [4-(2-morpholin-4-ylethyl)-1,4-diazepan-2-yl]methanol.

Molecular Properties

Compound Name[4-(2-morpholin-4-ylethyl)-1,4-diazepan-2-yl]methanol
PubChem CID82243970
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name[4-(2-morpholin-4-ylethyl)-1,4-diazepan-2-yl]methanol
SMILESOCC1CN(CCN2CCOCC2)CCCN1
InChIInChI=1S/C12H25N3O2/c16-11-12-10-15(3-1-2-13-12)5-4-14-6-8-17-9-7-14/h12-13,16H,1-11H2
InChIKeyLERYVPUCHKBGCP-UHFFFAOYSA-N
XLogP-1.03
TPSA47.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(2-morpholin-4-ylethyl)-1,4-diazepan-2-yl]methanol?
The IUPAC name of [4-(2-morpholin-4-ylethyl)-1,4-diazepan-2-yl]methanol (CID 82243970) is [4-(2-morpholin-4-ylethyl)-1,4-diazepan-2-yl]methanol.
What is the SMILES notation for [4-(2-morpholin-4-ylethyl)-1,4-diazepan-2-yl]methanol?
The canonical SMILES for [4-(2-morpholin-4-ylethyl)-1,4-diazepan-2-yl]methanol is OCC1CN(CCN2CCOCC2)CCCN1.
What is the InChIKey of [4-(2-morpholin-4-ylethyl)-1,4-diazepan-2-yl]methanol?
The InChIKey is LERYVPUCHKBGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c16-11-12-10-15(3-1-2-13-12)5-4-14-6-8-17-9-7-14/h12-13,16H,1-11H2.
What are the key properties of [4-(2-morpholin-4-ylethyl)-1,4-diazepan-2-yl]methanol?
[4-(2-morpholin-4-ylethyl)-1,4-diazepan-2-yl]methanol has a molecular weight of 243.35 g/mol, XLogP of -1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-morpholin-4-ylethyl)-1,4-diazepan-2-yl]methanol is sourced from PubChem (CID 82243970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).