(2S)-1-(2,3-dimethylcyclohexyl)oxy-3-morpholin-4-ylpropan-2-ol

C15H29NO3 — CID 140917659

IUPAC(2S)-1-(2,3-dimethylcyclohexyl)oxy-3-morpholin-4-ylpropan-2-ol
SMILESCC1CCCC(OC[C@@H](O)CN2CCOCC2)C1C
InChIInChI=1S/C15H29NO3/c1-12-4-3-5-15(13(12)2)19-11-14(17)10-16-6-8-18-9-7-16/h12-15,17H,3-11H2,1-2H3/t12?,13?,14-,15?/m0/s1
InChIKeySZMJDYMHKMGWNE-YFXXHVASSA-N
MW271.40 g/mol
LogP1.52
Rot. Bonds5

About (2S)-1-(2,3-dimethylcyclohexyl)oxy-3-morpholin-4-ylpropan-2-ol

(2S)-1-(2,3-dimethylcyclohexyl)oxy-3-morpholin-4-ylpropan-2-ol (PubChem CID 140917659) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is (2S)-1-(2,3-dimethylcyclohexyl)oxy-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-(2,3-dimethylcyclohexyl)oxy-3-morpholin-4-ylpropan-2-ol
PubChem CID140917659
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name(2S)-1-(2,3-dimethylcyclohexyl)oxy-3-morpholin-4-ylpropan-2-ol
SMILESCC1CCCC(OC[C@@H](O)CN2CCOCC2)C1C
InChIInChI=1S/C15H29NO3/c1-12-4-3-5-15(13(12)2)19-11-14(17)10-16-6-8-18-9-7-16/h12-15,17H,3-11H2,1-2H3/t12?,13?,14-,15?/m0/s1
InChIKeySZMJDYMHKMGWNE-YFXXHVASSA-N
XLogP1.52
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[(1R,2R)-2-methylcyclopentyl]oxypropan-2-ol
CID 51621871
1-cyclopentyloxy-3-morpholin-4-ylpropan-2-ol;hydrochloride
CID 16958185
(2R)-1-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-3-morpholin-4-ylpropan-2-ol
CID 7058396
(2R)-1-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-3-morpholin-4-ylpropan-2-ol
CID 7058398
ethyl 4-[(2S)-2-hydroxy-3-[(1R,2S)-2-methylcyclopentyl]oxypropyl]piperazine-1-carboxylate
CID 29132274
1-(2-adamantyloxy)-3-morpholin-4-ylpropan-2-ol chloride
CID 21236682
[(2S)-2-hydroxy-3-morpholin-4-ylpropyl] acetate
CID 71177850
1-(3-methylpiperidin-1-yl)-3-morpholin-4-ylpropan-2-ol
CID 110879064
1-[cyclopentyl(methyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 110882289
(2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-3-[(1R,2R)-2-methylcyclopentyl]oxypropan-2-ol
CID 41435362
(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]-3-[(1S,2R)-2-methylcyclopentyl]oxypropan-2-ol
CID 42584575
1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butan-2-ol
CID 129310449

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2,3-dimethylcyclohexyl)oxy-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of (2S)-1-(2,3-dimethylcyclohexyl)oxy-3-morpholin-4-ylpropan-2-ol (CID 140917659) is (2S)-1-(2,3-dimethylcyclohexyl)oxy-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for (2S)-1-(2,3-dimethylcyclohexyl)oxy-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for (2S)-1-(2,3-dimethylcyclohexyl)oxy-3-morpholin-4-ylpropan-2-ol is CC1CCCC(OC[C@@H](O)CN2CCOCC2)C1C.
What is the InChIKey of (2S)-1-(2,3-dimethylcyclohexyl)oxy-3-morpholin-4-ylpropan-2-ol?
The InChIKey is SZMJDYMHKMGWNE-YFXXHVASSA-N. The full InChI is InChI=1S/C15H29NO3/c1-12-4-3-5-15(13(12)2)19-11-14(17)10-16-6-8-18-9-7-16/h12-15,17H,3-11H2,1-2H3/t12?,13?,14-,15?/m0/s1.
What are the key properties of (2S)-1-(2,3-dimethylcyclohexyl)oxy-3-morpholin-4-ylpropan-2-ol?
(2S)-1-(2,3-dimethylcyclohexyl)oxy-3-morpholin-4-ylpropan-2-ol has a molecular weight of 271.40 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2,3-dimethylcyclohexyl)oxy-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 140917659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).