1-(1-morpholin-4-ylcyclopentyl)but-3-yn-1-ol

C13H21NO2 — CID 79060619

IUPAC1-(1-morpholin-4-ylcyclopentyl)but-3-yn-1-ol
SMILESC#CCC(O)C1(N2CCOCC2)CCCC1
InChIInChI=1S/C13H21NO2/c1-2-5-12(15)13(6-3-4-7-13)14-8-10-16-11-9-14/h1,12,15H,3-11H2
InChIKeyIOEZNBFXUPLTCF-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.02
Rot. Bonds3

About 1-(1-morpholin-4-ylcyclopentyl)but-3-yn-1-ol

1-(1-morpholin-4-ylcyclopentyl)but-3-yn-1-ol (PubChem CID 79060619) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(1-morpholin-4-ylcyclopentyl)but-3-yn-1-ol.

Molecular Properties

Compound Name1-(1-morpholin-4-ylcyclopentyl)but-3-yn-1-ol
PubChem CID79060619
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-(1-morpholin-4-ylcyclopentyl)but-3-yn-1-ol
SMILESC#CCC(O)C1(N2CCOCC2)CCCC1
InChIInChI=1S/C13H21NO2/c1-2-5-12(15)13(6-3-4-7-13)14-8-10-16-11-9-14/h1,12,15H,3-11H2
InChIKeyIOEZNBFXUPLTCF-UHFFFAOYSA-N
XLogP1.02
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(1-morpholin-4-ylcyclopentyl)propan-1-ol
CID 79060024
1-(1-morpholin-4-ylcyclopentyl)but-3-en-1-ol
CID 79060228
1-(1-morpholin-4-ylcyclopentyl)hex-4-yn-1-ol
CID 113455139
2-ethoxy-1-(1-morpholin-4-ylcyclopentyl)ethanol
CID 79575162
3-methyl-1-(1-morpholin-4-ylcyclopentyl)hexan-1-ol
CID 79060616
1-(1-piperidin-1-ylcyclopentyl)pent-3-yn-1-ol
CID 79057474
2-(4-bromophenyl)-1-(1-morpholin-4-ylcyclopentyl)ethanol
CID 79058275
1-(1-morpholin-4-ylcyclopentyl)-4-(oxolan-2-yl)butan-1-ol
CID 79057526
1-(1-morpholin-4-ylcyclopentyl)-3-thiophen-2-ylpropan-1-ol
CID 79059782
3-(1-methylpyrazol-4-yl)-1-(1-morpholin-4-ylcyclopentyl)propan-1-ol
CID 103008326
1-(1-morpholin-4-ylcyclopentyl)ethanamine;dihydrochloride
CID 54595571
(2-chlorophenyl)-(1-morpholin-4-ylcyclopentyl)methanol
CID 79060021

Frequently Asked Questions

What is the IUPAC name of 1-(1-morpholin-4-ylcyclopentyl)but-3-yn-1-ol?
The IUPAC name of 1-(1-morpholin-4-ylcyclopentyl)but-3-yn-1-ol (CID 79060619) is 1-(1-morpholin-4-ylcyclopentyl)but-3-yn-1-ol.
What is the SMILES notation for 1-(1-morpholin-4-ylcyclopentyl)but-3-yn-1-ol?
The canonical SMILES for 1-(1-morpholin-4-ylcyclopentyl)but-3-yn-1-ol is C#CCC(O)C1(N2CCOCC2)CCCC1.
What is the InChIKey of 1-(1-morpholin-4-ylcyclopentyl)but-3-yn-1-ol?
The InChIKey is IOEZNBFXUPLTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-2-5-12(15)13(6-3-4-7-13)14-8-10-16-11-9-14/h1,12,15H,3-11H2.
What are the key properties of 1-(1-morpholin-4-ylcyclopentyl)but-3-yn-1-ol?
1-(1-morpholin-4-ylcyclopentyl)but-3-yn-1-ol has a molecular weight of 223.32 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-morpholin-4-ylcyclopentyl)but-3-yn-1-ol is sourced from PubChem (CID 79060619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).