5-(dipropylamino)-4-hydroxy-2-methyl-1-morpholin-4-ylpentan-1-one;hydrochloride

C16H33ClN2O3 — CID 3049999

IUPAC5-(dipropylamino)-4-hydroxy-2-methyl-1-morpholin-4-ylpentan-1-one;hydrochloride
SMILESCCCN(CCC)CC(O)CC(C)C(=O)N1CCOCC1.Cl
InChIInChI=1S/C16H32N2O3.ClH/c1-4-6-17(7-5-2)13-15(19)12-14(3)16(20)18-8-10-21-11-9-18;/h14-15,19H,4-13H2,1-3H3;1H
InChIKeySNHAFJGHFBMXJJ-UHFFFAOYSA-N
MW336.90 g/mol
LogP1.78
Rot. Bonds9

About 5-(dipropylamino)-4-hydroxy-2-methyl-1-morpholin-4-ylpentan-1-one;hydrochloride

5-(dipropylamino)-4-hydroxy-2-methyl-1-morpholin-4-ylpentan-1-one;hydrochloride (PubChem CID 3049999) has the molecular formula C16H33ClN2O3 and a molecular weight of 336.90 g/mol. Its IUPAC name is 5-(dipropylamino)-4-hydroxy-2-methyl-1-morpholin-4-ylpentan-1-one;hydrochloride.

Molecular Properties

Compound Name5-(dipropylamino)-4-hydroxy-2-methyl-1-morpholin-4-ylpentan-1-one;hydrochloride
PubChem CID3049999
Molecular FormulaC16H33ClN2O3
Molecular Weight336.90 g/mol
Exact Mass336.22
IUPAC Name5-(dipropylamino)-4-hydroxy-2-methyl-1-morpholin-4-ylpentan-1-one;hydrochloride
SMILESCCCN(CCC)CC(O)CC(C)C(=O)N1CCOCC1.Cl
InChIInChI=1S/C16H32N2O3.ClH/c1-4-6-17(7-5-2)13-15(19)12-14(3)16(20)18-8-10-21-11-9-18;/h14-15,19H,4-13H2,1-3H3;1H
InChIKeySNHAFJGHFBMXJJ-UHFFFAOYSA-N
XLogP1.78
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.90
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Hydroxy-5-(piperidin-1-yl)-N,N-dipropylpentanamide--hydrogen chloride (1/1)
CID 3050001
Morpholine, 4-(4-hydroxy-2-methyl-1-oxo-5-(1-piperidinyl)pentyl)-, monohydrochloride
CID 3050003
N,N-Diethyl-4-hydroxy-5-(morpholin-4-yl)pentanamide--hydrogen chloride (1/1)
CID 3050005
4-Morpholinepentanamide, N,N-dibutyl-gamma-hydroxy-, monohydrochloride
CID 3050007
5-(Dipropylamino)-4-hydroxy-2-methyl-1-morpholin-4-ylpentan-1-one
CID 3050000
4-hydroxy-5-piperidin-1-yl-N,N-dipropylpentanamide
CID 3050002
4-Hydroxy-2-methyl-1-morpholin-4-yl-5-piperidin-1-ylpentan-1-one
CID 3050004
N,N-diethyl-4-hydroxy-5-morpholin-4-ylpentanamide
CID 3050006
N,N-dibutyl-4-hydroxy-5-morpholin-4-ylpentanamide
CID 3050008
1-(3-Hydroxypiperidin-1-yl)-4-methylpentan-1-one
CID 17918017
4-Hydroxy-1-morpholin-4-ylpentan-1-one
CID 53996862
5-Hydroxy-1-(2-methylpropyl)piperidin-2-one
CID 117013871

Frequently Asked Questions

What is the IUPAC name of 5-(dipropylamino)-4-hydroxy-2-methyl-1-morpholin-4-ylpentan-1-one;hydrochloride?
The IUPAC name of 5-(dipropylamino)-4-hydroxy-2-methyl-1-morpholin-4-ylpentan-1-one;hydrochloride (CID 3049999) is 5-(dipropylamino)-4-hydroxy-2-methyl-1-morpholin-4-ylpentan-1-one;hydrochloride.
What is the SMILES notation for 5-(dipropylamino)-4-hydroxy-2-methyl-1-morpholin-4-ylpentan-1-one;hydrochloride?
The canonical SMILES for 5-(dipropylamino)-4-hydroxy-2-methyl-1-morpholin-4-ylpentan-1-one;hydrochloride is CCCN(CCC)CC(O)CC(C)C(=O)N1CCOCC1.Cl.
What is the InChIKey of 5-(dipropylamino)-4-hydroxy-2-methyl-1-morpholin-4-ylpentan-1-one;hydrochloride?
The InChIKey is SNHAFJGHFBMXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3.ClH/c1-4-6-17(7-5-2)13-15(19)12-14(3)16(20)18-8-10-21-11-9-18;/h14-15,19H,4-13H2,1-3H3;1H.
What are the key properties of 5-(dipropylamino)-4-hydroxy-2-methyl-1-morpholin-4-ylpentan-1-one;hydrochloride?
5-(dipropylamino)-4-hydroxy-2-methyl-1-morpholin-4-ylpentan-1-one;hydrochloride has a molecular weight of 336.90 g/mol, XLogP of 1.78, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dipropylamino)-4-hydroxy-2-methyl-1-morpholin-4-ylpentan-1-one;hydrochloride is sourced from PubChem (CID 3049999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).