1-(2-adamantyloxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride

C17H30ClNO3 — CID 2836050

IUPAC1-(2-adamantyloxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride
SMILESCl.OC(COC1C2CC3CC(C2)CC1C3)CN1CCOCC1
InChIInChI=1S/C17H29NO3.ClH/c19-16(10-18-1-3-20-4-2-18)11-21-17-14-6-12-5-13(8-14)9-15(17)7-12;/h12-17,19H,1-11H2;1H
InChIKeyZKVIGAVXFFTJOV-UHFFFAOYSA-N
MW331.88 g/mol
LogP1.94
Rot. Bonds5

About 1-(2-adamantyloxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride

1-(2-adamantyloxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride (PubChem CID 2836050) has the molecular formula C17H30ClNO3 and a molecular weight of 331.88 g/mol. Its IUPAC name is 1-(2-adamantyloxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(2-adamantyloxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride
PubChem CID2836050
Molecular FormulaC17H30ClNO3
Molecular Weight331.88 g/mol
Exact Mass331.19
IUPAC Name1-(2-adamantyloxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride
SMILESCl.OC(COC1C2CC3CC(C2)CC1C3)CN1CCOCC1
InChIInChI=1S/C17H29NO3.ClH/c19-16(10-18-1-3-20-4-2-18)11-21-17-14-6-12-5-13(8-14)9-15(17)7-12;/h12-17,19H,1-11H2;1H
InChIKeyZKVIGAVXFFTJOV-UHFFFAOYSA-N
XLogP1.94
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.88
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-[2-(1-Adamantyl)ethoxy]-3-[bis(2-hydroxyethyl)amino]-2-propanol hydrochloride
CID 2882158
{3-[2-(Adamantan-1-yl)ethoxy]-2-hydroxypropyl}diethylamine hydrochloride
CID 2769759
4-Morpholineethanol, alpha-(3-adamantylmethoxymethyl)-, hydrochloride
CID 64249
2-Propanol, 1-(1-adamantylmethoxy)-3-dimethylamino-, hydrochloride
CID 64267
1-Piperazineethanol, alpha-(3-adamantylmethoxymethyl)-4-methyl-, hydrochloride
CID 64251
1-(2-Adamantyloxy)-3-(4-morpholinyl)-2-propanol
CID 567884
1-(Adamantan-1-yl)-3-(morpholin-4-yl)propan-1-ol
CID 64169
1-Piperidineethanol, alpha-(1-adamantylmethoxymethyl)-2,2,5,5-tetramethyl-, hydrochloride
CID 64490
2-({3-[(Adamantan-1-yl)methoxy]-2-hydroxypropyl}(2-hydroxyethyl)amino)ethan-1-ol hydrochloride
CID 18593194
1-[2-(1-Adamantyl)ethoxy]-3-(4-morpholinyl)-2-propanol
CID 2769721

Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantyloxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride?
The IUPAC name of 1-(2-adamantyloxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride (CID 2836050) is 1-(2-adamantyloxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride.
What is the SMILES notation for 1-(2-adamantyloxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride?
The canonical SMILES for 1-(2-adamantyloxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride is Cl.OC(COC1C2CC3CC(C2)CC1C3)CN1CCOCC1.
What is the InChIKey of 1-(2-adamantyloxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride?
The InChIKey is ZKVIGAVXFFTJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3.ClH/c19-16(10-18-1-3-20-4-2-18)11-21-17-14-6-12-5-13(8-14)9-15(17)7-12;/h12-17,19H,1-11H2;1H.
What are the key properties of 1-(2-adamantyloxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride?
1-(2-adamantyloxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride has a molecular weight of 331.88 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantyloxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride is sourced from PubChem (CID 2836050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).