5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol;dihydrochloride

C15H31Cl2NO3 — CID 70046977

IUPAC5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol;dihydrochloride
SMILESCl.Cl.OC(CCC1CCCCC1)C(O)CN1CCOCC1
InChIInChI=1S/C15H29NO3.2ClH/c17-14(7-6-13-4-2-1-3-5-13)15(18)12-16-8-10-19-11-9-16;;/h13-15,17-18H,1-12H2;2*1H
InChIKeyKXUSXYXYTSAITC-UHFFFAOYSA-N
MW344.32 g/mol
LogP2.24
Rot. Bonds6

About 5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol;dihydrochloride

5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol;dihydrochloride (PubChem CID 70046977) has the molecular formula C15H31Cl2NO3 and a molecular weight of 344.32 g/mol. Its IUPAC name is 5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol;dihydrochloride.

Molecular Properties

Compound Name5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol;dihydrochloride
PubChem CID70046977
Molecular FormulaC15H31Cl2NO3
Molecular Weight344.32 g/mol
Exact Mass343.17
IUPAC Name5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol;dihydrochloride
SMILESCl.Cl.OC(CCC1CCCCC1)C(O)CN1CCOCC1
InChIInChI=1S/C15H29NO3.2ClH/c17-14(7-6-13-4-2-1-3-5-13)15(18)12-16-8-10-19-11-9-16;;/h13-15,17-18H,1-12H2;2*1H
InChIKeyKXUSXYXYTSAITC-UHFFFAOYSA-N
XLogP2.24
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol;dihydrochloride?
The IUPAC name of 5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol;dihydrochloride (CID 70046977) is 5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol;dihydrochloride.
What is the SMILES notation for 5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol;dihydrochloride?
The canonical SMILES for 5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol;dihydrochloride is Cl.Cl.OC(CCC1CCCCC1)C(O)CN1CCOCC1.
What is the InChIKey of 5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol;dihydrochloride?
The InChIKey is KXUSXYXYTSAITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3.2ClH/c17-14(7-6-13-4-2-1-3-5-13)15(18)12-16-8-10-19-11-9-16;;/h13-15,17-18H,1-12H2;2*1H.
What are the key properties of 5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol;dihydrochloride?
5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol;dihydrochloride has a molecular weight of 344.32 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol;dihydrochloride is sourced from PubChem (CID 70046977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).