1-(2-methylcyclopentyl)oxy-3-morpholin-4-ylpropan-2-ol

C13H25NO3 — CID 18592903

IUPAC1-(2-methylcyclopentyl)oxy-3-morpholin-4-ylpropan-2-ol
SMILESCC1CCCC1OCC(O)CN1CCOCC1
InChIInChI=1S/C13H25NO3/c1-11-3-2-4-13(11)17-10-12(15)9-14-5-7-16-8-6-14/h11-13,15H,2-10H2,1H3
InChIKeyPTNLBEFQQFGPBE-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.88
Rot. Bonds5

About 1-(2-methylcyclopentyl)oxy-3-morpholin-4-ylpropan-2-ol

1-(2-methylcyclopentyl)oxy-3-morpholin-4-ylpropan-2-ol (PubChem CID 18592903) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-(2-methylcyclopentyl)oxy-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-(2-methylcyclopentyl)oxy-3-morpholin-4-ylpropan-2-ol
PubChem CID18592903
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name1-(2-methylcyclopentyl)oxy-3-morpholin-4-ylpropan-2-ol
SMILESCC1CCCC1OCC(O)CN1CCOCC1
InChIInChI=1S/C13H25NO3/c1-11-3-2-4-13(11)17-10-12(15)9-14-5-7-16-8-6-14/h11-13,15H,2-10H2,1H3
InChIKeyPTNLBEFQQFGPBE-UHFFFAOYSA-N
XLogP0.88
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclopentyl)oxy-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-(2-methylcyclopentyl)oxy-3-morpholin-4-ylpropan-2-ol (CID 18592903) is 1-(2-methylcyclopentyl)oxy-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-(2-methylcyclopentyl)oxy-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-(2-methylcyclopentyl)oxy-3-morpholin-4-ylpropan-2-ol is CC1CCCC1OCC(O)CN1CCOCC1.
What is the InChIKey of 1-(2-methylcyclopentyl)oxy-3-morpholin-4-ylpropan-2-ol?
The InChIKey is PTNLBEFQQFGPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-11-3-2-4-13(11)17-10-12(15)9-14-5-7-16-8-6-14/h11-13,15H,2-10H2,1H3.
What are the key properties of 1-(2-methylcyclopentyl)oxy-3-morpholin-4-ylpropan-2-ol?
1-(2-methylcyclopentyl)oxy-3-morpholin-4-ylpropan-2-ol has a molecular weight of 243.35 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclopentyl)oxy-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 18592903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).