1-(3,5-dimethyl-1-adamantyl)-2-morpholin-4-ylethanol;hydrochloride

C18H32ClNO2 — CID 6460908

IUPAC1-(3,5-dimethyl-1-adamantyl)-2-morpholin-4-ylethanol;hydrochloride
SMILESCC12CC3CC(C)(C1)CC(C(O)CN1CCOCC1)(C3)C2.Cl
InChIInChI=1S/C18H31NO2.ClH/c1-16-7-14-8-17(2,11-16)13-18(9-14,12-16)15(20)10-19-3-5-21-6-4-19;/h14-15,20H,3-13H2,1-2H3;1H
InChIKeyFZELUNSXNWOAJC-UHFFFAOYSA-N
MW329.91 g/mol
LogP3.10
Rot. Bonds3

About 1-(3,5-dimethyl-1-adamantyl)-2-morpholin-4-ylethanol;hydrochloride

1-(3,5-dimethyl-1-adamantyl)-2-morpholin-4-ylethanol;hydrochloride (PubChem CID 6460908) has the molecular formula C18H32ClNO2 and a molecular weight of 329.91 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1-adamantyl)-2-morpholin-4-ylethanol;hydrochloride.

Molecular Properties

Compound Name1-(3,5-dimethyl-1-adamantyl)-2-morpholin-4-ylethanol;hydrochloride
PubChem CID6460908
Molecular FormulaC18H32ClNO2
Molecular Weight329.91 g/mol
Exact Mass329.21
IUPAC Name1-(3,5-dimethyl-1-adamantyl)-2-morpholin-4-ylethanol;hydrochloride
SMILESCC12CC3CC(C)(C1)CC(C(O)CN1CCOCC1)(C3)C2.Cl
InChIInChI=1S/C18H31NO2.ClH/c1-16-7-14-8-17(2,11-16)13-18(9-14,12-16)15(20)10-19-3-5-21-6-4-19;/h14-15,20H,3-13H2,1-2H3;1H
InChIKeyFZELUNSXNWOAJC-UHFFFAOYSA-N
XLogP3.10
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.91
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1-Adamantyl)ethoxy]-3-(1-piperidinyl)-2-propanol hydrochloride
CID 2769757
1-[2-(1-Adamantyl)ethoxy]-3-(4-methyl-1-piperidinyl)-2-propanol hydrochloride
CID 2834357
1-(1-Adamantyl)-2-piperidin-1-ylpropan-1-ol
CID 16193794
1-[2-(1-Adamantyl)ethoxy]-3-(2-methylpiperidin-1-yl)propan-2-ol;hydrochloride
CID 16195939
(2R,3R,4R,5S)-1-[5-(1-adamantylmethoxy)pentyl]-2-methylpiperidine-3,4,5-triol
CID 53494928
(3S,5R)-1-[5-(1-adamantylmethoxy)pentyl]piperidine-3,4,5-triol
CID 70689429
4-Morpholineethanol, alpha-(3-adamantylmethoxymethyl)-, hydrochloride
CID 64249
1-Piperazineethanol, alpha-(3-adamantylmethoxymethyl)-4-methyl-, hydrochloride
CID 64251
2-(Morpholin-4-yl)-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethanol
CID 2853413
1-[2-(1-Adamantyl)ethoxy]-3-(2-ethylpiperidin-1-yl)propan-2-ol;hydrochloride
CID 2843714
1-(Adamantan-1-yl)-3-(morpholin-4-yl)propan-1-ol
CID 64169
1-Piperidineethanol, alpha-1-adamantyl-, hydrochloride
CID 64193

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1-adamantyl)-2-morpholin-4-ylethanol;hydrochloride?
The IUPAC name of 1-(3,5-dimethyl-1-adamantyl)-2-morpholin-4-ylethanol;hydrochloride (CID 6460908) is 1-(3,5-dimethyl-1-adamantyl)-2-morpholin-4-ylethanol;hydrochloride.
What is the SMILES notation for 1-(3,5-dimethyl-1-adamantyl)-2-morpholin-4-ylethanol;hydrochloride?
The canonical SMILES for 1-(3,5-dimethyl-1-adamantyl)-2-morpholin-4-ylethanol;hydrochloride is CC12CC3CC(C)(C1)CC(C(O)CN1CCOCC1)(C3)C2.Cl.
What is the InChIKey of 1-(3,5-dimethyl-1-adamantyl)-2-morpholin-4-ylethanol;hydrochloride?
The InChIKey is FZELUNSXNWOAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2.ClH/c1-16-7-14-8-17(2,11-16)13-18(9-14,12-16)15(20)10-19-3-5-21-6-4-19;/h14-15,20H,3-13H2,1-2H3;1H.
What are the key properties of 1-(3,5-dimethyl-1-adamantyl)-2-morpholin-4-ylethanol;hydrochloride?
1-(3,5-dimethyl-1-adamantyl)-2-morpholin-4-ylethanol;hydrochloride has a molecular weight of 329.91 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1-adamantyl)-2-morpholin-4-ylethanol;hydrochloride is sourced from PubChem (CID 6460908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).