4-[(1S,4S)-4-methylcycloheptyl]morpholine

C12H23NO — CID 143263488

IUPAC4-[(1S,4S)-4-methylcycloheptyl]morpholine
SMILESC[C@H]1CCC[C@H](N2CCOCC2)CC1
InChIInChI=1S/C12H23NO/c1-11-3-2-4-12(6-5-11)13-7-9-14-10-8-13/h11-12H,2-10H2,1H3/t11-,12-/m0/s1
InChIKeyPAIRWWPBBPSVKF-RYUDHWBXSA-N
MW197.32 g/mol
LogP2.29
Rot. Bonds1

About 4-[(1S,4S)-4-methylcycloheptyl]morpholine

4-[(1S,4S)-4-methylcycloheptyl]morpholine (PubChem CID 143263488) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 4-[(1S,4S)-4-methylcycloheptyl]morpholine.

Molecular Properties

Compound Name4-[(1S,4S)-4-methylcycloheptyl]morpholine
PubChem CID143263488
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name4-[(1S,4S)-4-methylcycloheptyl]morpholine
SMILESC[C@H]1CCC[C@H](N2CCOCC2)CC1
InChIInChI=1S/C12H23NO/c1-11-3-2-4-12(6-5-11)13-7-9-14-10-8-13/h11-12H,2-10H2,1H3/t11-,12-/m0/s1
InChIKeyPAIRWWPBBPSVKF-RYUDHWBXSA-N
XLogP2.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1R,3S)-3-methylcyclohexyl]morpholine
CID 31196445
4-cyclopropylmorpholine;ethane
CID 155594914
4-[(1R,3S)-3-methylcyclopentyl]morpholine
CID 7448488
(4R)-4-methyl-1-(oxan-4-yl)azepane
CID 66580615
4-methyl-1-(oxan-4-yl)azepane
CID 77147809
4-(oxepan-4-yl)morpholine
CID 131201603
4-(5-methyloxan-2-yl)morpholine
CID 91075385
4-cyclohexylmorpholine;4-ethylmorpholine
CID 90198575
5-cyclopentyl-1,5-oxazocane
CID 174168377
4-methyl-1-[(3R)-oxan-3-yl]piperidine
CID 126716470
4-methyl-1-(4-methylcycloheptyl)piperidine-4-carboxylic acid
CID 65082997
1-cyclohexyl-4-(4-methylpiperidin-1-yl)piperidine
CID 1121684

Frequently Asked Questions

What is the IUPAC name of 4-[(1S,4S)-4-methylcycloheptyl]morpholine?
The IUPAC name of 4-[(1S,4S)-4-methylcycloheptyl]morpholine (CID 143263488) is 4-[(1S,4S)-4-methylcycloheptyl]morpholine.
What is the SMILES notation for 4-[(1S,4S)-4-methylcycloheptyl]morpholine?
The canonical SMILES for 4-[(1S,4S)-4-methylcycloheptyl]morpholine is C[C@H]1CCC[C@H](N2CCOCC2)CC1.
What is the InChIKey of 4-[(1S,4S)-4-methylcycloheptyl]morpholine?
The InChIKey is PAIRWWPBBPSVKF-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H23NO/c1-11-3-2-4-12(6-5-11)13-7-9-14-10-8-13/h11-12H,2-10H2,1H3/t11-,12-/m0/s1.
What are the key properties of 4-[(1S,4S)-4-methylcycloheptyl]morpholine?
4-[(1S,4S)-4-methylcycloheptyl]morpholine has a molecular weight of 197.32 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,4S)-4-methylcycloheptyl]morpholine is sourced from PubChem (CID 143263488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).