(3R,4S)-4-amino-5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol;dihydrochloride

C15H32Cl2N2O3 — CID 22844599

IUPAC(3R,4S)-4-amino-5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol;dihydrochloride
SMILESCl.Cl.N[C@@H](CC1CCCCC1)[C@@H](O)C(O)CN1CCOCC1
InChIInChI=1S/C15H30N2O3.2ClH/c16-13(10-12-4-2-1-3-5-12)15(19)14(18)11-17-6-8-20-9-7-17;;/h12-15,18-19H,1-11,16H2;2*1H/t13-,14?,15+;;/m0../s1
InChIKeyPRYWBOAMFVNMHB-CJWVAWIBSA-N
MW359.34 g/mol
LogP1.18
Rot. Bonds6

About (3R,4S)-4-amino-5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol;dihydrochloride

(3R,4S)-4-amino-5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol;dihydrochloride (PubChem CID 22844599) has the molecular formula C15H32Cl2N2O3 and a molecular weight of 359.34 g/mol. Its IUPAC name is (3R,4S)-4-amino-5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol;dihydrochloride.

Molecular Properties

Compound Name(3R,4S)-4-amino-5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol;dihydrochloride
PubChem CID22844599
Molecular FormulaC15H32Cl2N2O3
Molecular Weight359.34 g/mol
Exact Mass358.18
IUPAC Name(3R,4S)-4-amino-5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol;dihydrochloride
SMILESCl.Cl.N[C@@H](CC1CCCCC1)[C@@H](O)C(O)CN1CCOCC1
InChIInChI=1S/C15H30N2O3.2ClH/c16-13(10-12-4-2-1-3-5-12)15(19)14(18)11-17-6-8-20-9-7-17;;/h12-15,18-19H,1-11,16H2;2*1H/t13-,14?,15+;;/m0../s1
InChIKeyPRYWBOAMFVNMHB-CJWVAWIBSA-N
XLogP1.18
TPSA78.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.34
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-amino-5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol;dihydrochloride?
The IUPAC name of (3R,4S)-4-amino-5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol;dihydrochloride (CID 22844599) is (3R,4S)-4-amino-5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol;dihydrochloride.
What is the SMILES notation for (3R,4S)-4-amino-5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol;dihydrochloride?
The canonical SMILES for (3R,4S)-4-amino-5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol;dihydrochloride is Cl.Cl.N[C@@H](CC1CCCCC1)[C@@H](O)C(O)CN1CCOCC1.
What is the InChIKey of (3R,4S)-4-amino-5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol;dihydrochloride?
The InChIKey is PRYWBOAMFVNMHB-CJWVAWIBSA-N. The full InChI is InChI=1S/C15H30N2O3.2ClH/c16-13(10-12-4-2-1-3-5-12)15(19)14(18)11-17-6-8-20-9-7-17;;/h12-15,18-19H,1-11,16H2;2*1H/t13-,14?,15+;;/m0../s1.
What are the key properties of (3R,4S)-4-amino-5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol;dihydrochloride?
(3R,4S)-4-amino-5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol;dihydrochloride has a molecular weight of 359.34 g/mol, XLogP of 1.18, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-amino-5-cyclohexyl-1-morpholin-4-ylpentane-2,3-diol;dihydrochloride is sourced from PubChem (CID 22844599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).