[4-[3-(2-methylimidazol-1-yl)propyl]morpholin-3-yl]methanol

C12H21N3O2 — CID 91828761

IUPAC[4-[3-(2-methylimidazol-1-yl)propyl]morpholin-3-yl]methanol
SMILESCc1nccn1CCCN1CCOCC1CO
InChIInChI=1S/C12H21N3O2/c1-11-13-3-6-14(11)4-2-5-15-7-8-17-10-12(15)9-16/h3,6,12,16H,2,4-5,7-10H2,1H3
InChIKeyZCCYNJPUJVHHGT-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.27
Rot. Bonds5

About [4-[3-(2-methylimidazol-1-yl)propyl]morpholin-3-yl]methanol

[4-[3-(2-methylimidazol-1-yl)propyl]morpholin-3-yl]methanol (PubChem CID 91828761) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is [4-[3-(2-methylimidazol-1-yl)propyl]morpholin-3-yl]methanol.

Molecular Properties

Compound Name[4-[3-(2-methylimidazol-1-yl)propyl]morpholin-3-yl]methanol
PubChem CID91828761
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name[4-[3-(2-methylimidazol-1-yl)propyl]morpholin-3-yl]methanol
SMILESCc1nccn1CCCN1CCOCC1CO
InChIInChI=1S/C12H21N3O2/c1-11-13-3-6-14(11)4-2-5-15-7-8-17-10-12(15)9-16/h3,6,12,16H,2,4-5,7-10H2,1H3
InChIKeyZCCYNJPUJVHHGT-UHFFFAOYSA-N
XLogP0.27
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[3-(2-methylimidazol-1-yl)propyl]morpholin-3-yl]methanol?
The IUPAC name of [4-[3-(2-methylimidazol-1-yl)propyl]morpholin-3-yl]methanol (CID 91828761) is [4-[3-(2-methylimidazol-1-yl)propyl]morpholin-3-yl]methanol.
What is the SMILES notation for [4-[3-(2-methylimidazol-1-yl)propyl]morpholin-3-yl]methanol?
The canonical SMILES for [4-[3-(2-methylimidazol-1-yl)propyl]morpholin-3-yl]methanol is Cc1nccn1CCCN1CCOCC1CO.
What is the InChIKey of [4-[3-(2-methylimidazol-1-yl)propyl]morpholin-3-yl]methanol?
The InChIKey is ZCCYNJPUJVHHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-11-13-3-6-14(11)4-2-5-15-7-8-17-10-12(15)9-16/h3,6,12,16H,2,4-5,7-10H2,1H3.
What are the key properties of [4-[3-(2-methylimidazol-1-yl)propyl]morpholin-3-yl]methanol?
[4-[3-(2-methylimidazol-1-yl)propyl]morpholin-3-yl]methanol has a molecular weight of 239.32 g/mol, XLogP of 0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(2-methylimidazol-1-yl)propyl]morpholin-3-yl]methanol is sourced from PubChem (CID 91828761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).