7-[4-(2-hydroxyethyl)morpholin-3-yl]-4-propylheptan-3-ol

C16H33NO3 — CID 101024698

IUPAC7-[4-(2-hydroxyethyl)morpholin-3-yl]-4-propylheptan-3-ol
SMILESCCCC(CCCC1COCCN1CCO)C(O)CC
InChIInChI=1S/C16H33NO3/c1-3-6-14(16(19)4-2)7-5-8-15-13-20-12-10-17(15)9-11-18/h14-16,18-19H,3-13H2,1-2H3
InChIKeyYPTTWWZQMMKFDD-UHFFFAOYSA-N
MW287.44 g/mol
LogP2.04
Rot. Bonds10

About 7-[4-(2-hydroxyethyl)morpholin-3-yl]-4-propylheptan-3-ol

7-[4-(2-hydroxyethyl)morpholin-3-yl]-4-propylheptan-3-ol (PubChem CID 101024698) has the molecular formula C16H33NO3 and a molecular weight of 287.44 g/mol. Its IUPAC name is 7-[4-(2-hydroxyethyl)morpholin-3-yl]-4-propylheptan-3-ol.

Molecular Properties

Compound Name7-[4-(2-hydroxyethyl)morpholin-3-yl]-4-propylheptan-3-ol
PubChem CID101024698
Molecular FormulaC16H33NO3
Molecular Weight287.44 g/mol
Exact Mass287.25
IUPAC Name7-[4-(2-hydroxyethyl)morpholin-3-yl]-4-propylheptan-3-ol
SMILESCCCC(CCCC1COCCN1CCO)C(O)CC
InChIInChI=1S/C16H33NO3/c1-3-6-14(16(19)4-2)7-5-8-15-13-20-12-10-17(15)9-11-18/h14-16,18-19H,3-13H2,1-2H3
InChIKeyYPTTWWZQMMKFDD-UHFFFAOYSA-N
XLogP2.04
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.44
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R)-3-(4-propylheptyl)morpholin-4-yl]ethanol;hydrochloride
CID 76961508
4-propyl-3-(4-propylheptyl)morpholine
CID 70282386
2-[3-(hydroxymethyl)morpholin-4-yl]ethanol
CID 83815724
3,4-di(tridecyl)morpholine
CID 172742724
trimethoxy-[3-(4-propylmorpholin-3-yl)propyl]silane
CID 152610920
3-(4-butylmorpholin-3-yl)propanoic acid
CID 117009382
2-(3-methylmorpholin-4-yl)ethanol
CID 43542486
2-[(3S)-3-methylmorpholin-4-yl]ethanol
CID 67078018
3-butyl-4-prop-2-enylmorpholine
CID 175912707
N-[(3-propylmorpholin-4-yl)methyl]methanimine
CID 143805724
2-[(3S)-4-methylmorpholin-3-yl]ethanol
CID 155290392
2-(4-methylmorpholin-3-yl)ethanol
CID 69499703

Frequently Asked Questions

What is the IUPAC name of 7-[4-(2-hydroxyethyl)morpholin-3-yl]-4-propylheptan-3-ol?
The IUPAC name of 7-[4-(2-hydroxyethyl)morpholin-3-yl]-4-propylheptan-3-ol (CID 101024698) is 7-[4-(2-hydroxyethyl)morpholin-3-yl]-4-propylheptan-3-ol.
What is the SMILES notation for 7-[4-(2-hydroxyethyl)morpholin-3-yl]-4-propylheptan-3-ol?
The canonical SMILES for 7-[4-(2-hydroxyethyl)morpholin-3-yl]-4-propylheptan-3-ol is CCCC(CCCC1COCCN1CCO)C(O)CC.
What is the InChIKey of 7-[4-(2-hydroxyethyl)morpholin-3-yl]-4-propylheptan-3-ol?
The InChIKey is YPTTWWZQMMKFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO3/c1-3-6-14(16(19)4-2)7-5-8-15-13-20-12-10-17(15)9-11-18/h14-16,18-19H,3-13H2,1-2H3.
What are the key properties of 7-[4-(2-hydroxyethyl)morpholin-3-yl]-4-propylheptan-3-ol?
7-[4-(2-hydroxyethyl)morpholin-3-yl]-4-propylheptan-3-ol has a molecular weight of 287.44 g/mol, XLogP of 2.04, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(2-hydroxyethyl)morpholin-3-yl]-4-propylheptan-3-ol is sourced from PubChem (CID 101024698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).