2-(5-methylmorpholin-3-yl)cycloheptan-1-ol

C12H23NO2 — CID 116685503

IUPAC2-(5-methylmorpholin-3-yl)cycloheptan-1-ol
SMILESCC1COCC(C2CCCCCC2O)N1
InChIInChI=1S/C12H23NO2/c1-9-7-15-8-11(13-9)10-5-3-2-4-6-12(10)14/h9-14H,2-8H2,1H3
InChIKeyOIQTWMKQFIWISP-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.30
Rot. Bonds1

About 2-(5-methylmorpholin-3-yl)cycloheptan-1-ol

2-(5-methylmorpholin-3-yl)cycloheptan-1-ol (PubChem CID 116685503) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-(5-methylmorpholin-3-yl)cycloheptan-1-ol.

Molecular Properties

Compound Name2-(5-methylmorpholin-3-yl)cycloheptan-1-ol
PubChem CID116685503
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-(5-methylmorpholin-3-yl)cycloheptan-1-ol
SMILESCC1COCC(C2CCCCCC2O)N1
InChIInChI=1S/C12H23NO2/c1-9-7-15-8-11(13-9)10-5-3-2-4-6-12(10)14/h9-14H,2-8H2,1H3
InChIKeyOIQTWMKQFIWISP-UHFFFAOYSA-N
XLogP1.30
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2,3,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[e][1,4]oxazepine
CID 106364256
(2R,4S,4aR,8aS)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol
CID 7078488
2-(5-methylmorpholin-3-yl)cycloheptan-1-one
CID 116685230
3,5-dimethylmorpholine
CID 8862
trans-(1R,2S)-2-[(3S)-morpholin-3-yl]cyclopentan-1-ol
CID 124709951
(3S,5R)-3,5-dimethylmorpholine;hydrochloride
CID 20818712
(1R,2R,8S,9R)-9-methylbicyclo[6.1.0]nonan-2-ol
CID 13110212
2-pyrrolidin-2-ylcyclooctan-1-ol
CID 79560078
2-piperidin-2-ylcyclododecan-1-ol
CID 79560081
3-methyl-5-(5-methyloxolan-2-yl)morpholine
CID 130533427
trans-(1R,2R)-2-[(2R)-pyrrolidin-2-yl]cyclohexan-1-ol
CID 124709746
2-cyclooctylcyclohexan-1-ol
CID 22359607

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylmorpholin-3-yl)cycloheptan-1-ol?
The IUPAC name of 2-(5-methylmorpholin-3-yl)cycloheptan-1-ol (CID 116685503) is 2-(5-methylmorpholin-3-yl)cycloheptan-1-ol.
What is the SMILES notation for 2-(5-methylmorpholin-3-yl)cycloheptan-1-ol?
The canonical SMILES for 2-(5-methylmorpholin-3-yl)cycloheptan-1-ol is CC1COCC(C2CCCCCC2O)N1.
What is the InChIKey of 2-(5-methylmorpholin-3-yl)cycloheptan-1-ol?
The InChIKey is OIQTWMKQFIWISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-9-7-15-8-11(13-9)10-5-3-2-4-6-12(10)14/h9-14H,2-8H2,1H3.
What are the key properties of 2-(5-methylmorpholin-3-yl)cycloheptan-1-ol?
2-(5-methylmorpholin-3-yl)cycloheptan-1-ol has a molecular weight of 213.32 g/mol, XLogP of 1.30, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylmorpholin-3-yl)cycloheptan-1-ol is sourced from PubChem (CID 116685503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).