4-hydroxy-2-methyl-1-morpholin-4-yl-5-piperidin-1-ylpentan-1-one;hydrochloride

C15H29ClN2O3 — CID 3050003

IUPAC4-hydroxy-2-methyl-1-morpholin-4-yl-5-piperidin-1-ylpentan-1-one;hydrochloride
SMILESCC(CC(O)CN1CCCCC1)C(=O)N1CCOCC1.Cl
InChIInChI=1S/C15H28N2O3.ClH/c1-13(15(19)17-7-9-20-10-8-17)11-14(18)12-16-5-3-2-4-6-16;/h13-14,18H,2-12H2,1H3;1H
InChIKeyNXAOTHYTDNDDAN-UHFFFAOYSA-N
MW320.86 g/mol
LogP1.14
Rot. Bonds5

About 4-hydroxy-2-methyl-1-morpholin-4-yl-5-piperidin-1-ylpentan-1-one;hydrochloride

4-hydroxy-2-methyl-1-morpholin-4-yl-5-piperidin-1-ylpentan-1-one;hydrochloride (PubChem CID 3050003) has the molecular formula C15H29ClN2O3 and a molecular weight of 320.86 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-1-morpholin-4-yl-5-piperidin-1-ylpentan-1-one;hydrochloride.

Molecular Properties

Compound Name4-hydroxy-2-methyl-1-morpholin-4-yl-5-piperidin-1-ylpentan-1-one;hydrochloride
PubChem CID3050003
Molecular FormulaC15H29ClN2O3
Molecular Weight320.86 g/mol
Exact Mass320.19
IUPAC Name4-hydroxy-2-methyl-1-morpholin-4-yl-5-piperidin-1-ylpentan-1-one;hydrochloride
SMILESCC(CC(O)CN1CCCCC1)C(=O)N1CCOCC1.Cl
InChIInChI=1S/C15H28N2O3.ClH/c1-13(15(19)17-7-9-20-10-8-17)11-14(18)12-16-5-3-2-4-6-16;/h13-14,18H,2-12H2,1H3;1H
InChIKeyNXAOTHYTDNDDAN-UHFFFAOYSA-N
XLogP1.14
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.86
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-1-morpholin-4-yl-5-piperidin-1-ylpentan-1-one;hydrochloride?
The IUPAC name of 4-hydroxy-2-methyl-1-morpholin-4-yl-5-piperidin-1-ylpentan-1-one;hydrochloride (CID 3050003) is 4-hydroxy-2-methyl-1-morpholin-4-yl-5-piperidin-1-ylpentan-1-one;hydrochloride.
What is the SMILES notation for 4-hydroxy-2-methyl-1-morpholin-4-yl-5-piperidin-1-ylpentan-1-one;hydrochloride?
The canonical SMILES for 4-hydroxy-2-methyl-1-morpholin-4-yl-5-piperidin-1-ylpentan-1-one;hydrochloride is CC(CC(O)CN1CCCCC1)C(=O)N1CCOCC1.Cl.
What is the InChIKey of 4-hydroxy-2-methyl-1-morpholin-4-yl-5-piperidin-1-ylpentan-1-one;hydrochloride?
The InChIKey is NXAOTHYTDNDDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3.ClH/c1-13(15(19)17-7-9-20-10-8-17)11-14(18)12-16-5-3-2-4-6-16;/h13-14,18H,2-12H2,1H3;1H.
What are the key properties of 4-hydroxy-2-methyl-1-morpholin-4-yl-5-piperidin-1-ylpentan-1-one;hydrochloride?
4-hydroxy-2-methyl-1-morpholin-4-yl-5-piperidin-1-ylpentan-1-one;hydrochloride has a molecular weight of 320.86 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methyl-1-morpholin-4-yl-5-piperidin-1-ylpentan-1-one;hydrochloride is sourced from PubChem (CID 3050003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).