2-(cyclohepten-1-yl)-1-morpholin-3-ylpropan-2-ol

C14H25NO2 — CID 106651594

IUPAC2-(cyclohepten-1-yl)-1-morpholin-3-ylpropan-2-ol
SMILESCC(O)(CC1COCCN1)C1=CCCCCC1
InChIInChI=1S/C14H25NO2/c1-14(16,10-13-11-17-9-8-15-13)12-6-4-2-3-5-7-12/h6,13,15-16H,2-5,7-11H2,1H3
InChIKeyDGCTWIORGVCALI-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.01
Rot. Bonds3

About 2-(cyclohepten-1-yl)-1-morpholin-3-ylpropan-2-ol

2-(cyclohepten-1-yl)-1-morpholin-3-ylpropan-2-ol (PubChem CID 106651594) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-(cyclohepten-1-yl)-1-morpholin-3-ylpropan-2-ol.

Molecular Properties

Compound Name2-(cyclohepten-1-yl)-1-morpholin-3-ylpropan-2-ol
PubChem CID106651594
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name2-(cyclohepten-1-yl)-1-morpholin-3-ylpropan-2-ol
SMILESCC(O)(CC1COCCN1)C1=CCCCCC1
InChIInChI=1S/C14H25NO2/c1-14(16,10-13-11-17-9-8-15-13)12-6-4-2-3-5-7-12/h6,13,15-16H,2-5,7-11H2,1H3
InChIKeyDGCTWIORGVCALI-UHFFFAOYSA-N
XLogP2.01
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[[(5-Aminooxan-2-yl)methylamino]methyl]-4-methylcyclohept-4-en-1-ol
CID 91478814
(2Z,4S)-2-(2-methylpropylidene)-4-[(2S)-piperidin-2-yl]pentane-1,4-diol
CID 10868437
3-(Cyclohepten-1-yl)piperidin-3-ol
CID 106650908
2-(Cycloocten-1-yl)-1-piperidin-2-ylpropan-2-ol
CID 106651590
2-(Cyclohexen-1-yl)-1-piperidin-2-ylpropan-2-ol
CID 106651591
2-(Cyclohepten-1-yl)-1-piperidin-2-ylpropan-2-ol
CID 106651592
2-(Cyclohexen-1-yl)-1-morpholin-3-ylpropan-2-ol
CID 106651593
2-(Cyclohexen-1-yl)-4-(2-methoxyethylamino)butan-2-ol
CID 106654921
2-(Cyclohepten-1-yl)-4-(2-methoxyethylamino)butan-2-ol
CID 106654922
2-(Cyclohexen-1-yl)-1-(2-methoxyethylamino)propan-2-ol
CID 106654943
2-(Cyclohepten-1-yl)-1-(2-methoxyethylamino)propan-2-ol
CID 106654944
2-(Cycloocten-1-yl)-1-(2-methoxyethylamino)propan-2-ol
CID 106654945

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohepten-1-yl)-1-morpholin-3-ylpropan-2-ol?
The IUPAC name of 2-(cyclohepten-1-yl)-1-morpholin-3-ylpropan-2-ol (CID 106651594) is 2-(cyclohepten-1-yl)-1-morpholin-3-ylpropan-2-ol.
What is the SMILES notation for 2-(cyclohepten-1-yl)-1-morpholin-3-ylpropan-2-ol?
The canonical SMILES for 2-(cyclohepten-1-yl)-1-morpholin-3-ylpropan-2-ol is CC(O)(CC1COCCN1)C1=CCCCCC1.
What is the InChIKey of 2-(cyclohepten-1-yl)-1-morpholin-3-ylpropan-2-ol?
The InChIKey is DGCTWIORGVCALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-14(16,10-13-11-17-9-8-15-13)12-6-4-2-3-5-7-12/h6,13,15-16H,2-5,7-11H2,1H3.
What are the key properties of 2-(cyclohepten-1-yl)-1-morpholin-3-ylpropan-2-ol?
2-(cyclohepten-1-yl)-1-morpholin-3-ylpropan-2-ol has a molecular weight of 239.36 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohepten-1-yl)-1-morpholin-3-ylpropan-2-ol is sourced from PubChem (CID 106651594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).