[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3-propylpyrrolidin-3-yl)methanone

C14H26N2O3 — CID 102932553

IUPAC[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3-propylpyrrolidin-3-yl)methanone
SMILESCCCC1(C(=O)N2CC(C)OC(CO)C2)CCNC1
InChIInChI=1S/C14H26N2O3/c1-3-4-14(5-6-15-10-14)13(18)16-7-11(2)19-12(8-16)9-17/h11-12,15,17H,3-10H2,1-2H3
InChIKeyPBSHJIPKTVDQOP-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.37
Rot. Bonds4

About [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3-propylpyrrolidin-3-yl)methanone

[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3-propylpyrrolidin-3-yl)methanone (PubChem CID 102932553) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3-propylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3-propylpyrrolidin-3-yl)methanone
PubChem CID102932553
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3-propylpyrrolidin-3-yl)methanone
SMILESCCCC1(C(=O)N2CC(C)OC(CO)C2)CCNC1
InChIInChI=1S/C14H26N2O3/c1-3-4-14(5-6-15-10-14)13(18)16-7-11(2)19-12(8-16)9-17/h11-12,15,17H,3-10H2,1-2H3
InChIKeyPBSHJIPKTVDQOP-UHFFFAOYSA-N
XLogP0.37
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methyl-1,4-oxazepan-4-yl)-(3-propylpyrrolidin-3-yl)methanone
CID 63142267
(1-ethylcyclopentyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934084
1-(3-propylpyrrolidine-3-carbonyl)azetidine-3-carboxylic acid
CID 79308921
[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(3-propylpyrrolidin-3-yl)methanone
CID 81463819
piperazin-1-yl-(3-propylpyrrolidin-3-yl)methanone
CID 63139032
(2-ethyl-6-methylmorpholin-4-yl)-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride
CID 120625884
8-oxa-3-azabicyclo[3.2.1]octan-3-yl-(3-propylpiperidin-3-yl)methanone
CID 66369459
(3,5-dimethylpiperidin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 63132443
(1-aminocyclopropyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102932645
[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(4-propylpiperidin-4-yl)methanone
CID 81465453
1-(4-propylpiperidine-4-carbonyl)azetidine-3-carboxylic acid
CID 79310151
(4-methylazepan-1-yl)-(3-propylpyrrolidin-3-yl)methanone
CID 63626147

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3-propylpyrrolidin-3-yl)methanone?
The IUPAC name of [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3-propylpyrrolidin-3-yl)methanone (CID 102932553) is [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3-propylpyrrolidin-3-yl)methanone.
What is the SMILES notation for [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3-propylpyrrolidin-3-yl)methanone?
The canonical SMILES for [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3-propylpyrrolidin-3-yl)methanone is CCCC1(C(=O)N2CC(C)OC(CO)C2)CCNC1.
What is the InChIKey of [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3-propylpyrrolidin-3-yl)methanone?
The InChIKey is PBSHJIPKTVDQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-3-4-14(5-6-15-10-14)13(18)16-7-11(2)19-12(8-16)9-17/h11-12,15,17H,3-10H2,1-2H3.
What are the key properties of [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3-propylpyrrolidin-3-yl)methanone?
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3-propylpyrrolidin-3-yl)methanone has a molecular weight of 270.37 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3-propylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 102932553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).