1-[2-(1-adamantyl)ethoxy]-3-piperidin-1-ylpropan-2-ol;hydrochloride

C20H36ClNO2 — CID 2769757

IUPAC1-[2-(1-adamantyl)ethoxy]-3-piperidin-1-ylpropan-2-ol;hydrochloride
SMILESCl.OC(COCCC12CC3CC(CC(C3)C1)C2)CN1CCCCC1
InChIInChI=1S/C20H35NO2.ClH/c22-19(14-21-5-2-1-3-6-21)15-23-7-4-20-11-16-8-17(12-20)10-18(9-16)13-20;/h16-19,22H,1-15H2;1H
InChIKeyHYSYYOSXGDCLOS-UHFFFAOYSA-N
MW357.97 g/mol
LogP3.88
Rot. Bonds7

About 1-[2-(1-adamantyl)ethoxy]-3-piperidin-1-ylpropan-2-ol;hydrochloride

1-[2-(1-adamantyl)ethoxy]-3-piperidin-1-ylpropan-2-ol;hydrochloride (PubChem CID 2769757) has the molecular formula C20H36ClNO2 and a molecular weight of 357.97 g/mol. Its IUPAC name is 1-[2-(1-adamantyl)ethoxy]-3-piperidin-1-ylpropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[2-(1-adamantyl)ethoxy]-3-piperidin-1-ylpropan-2-ol;hydrochloride
PubChem CID2769757
Molecular FormulaC20H36ClNO2
Molecular Weight357.97 g/mol
Exact Mass357.24
IUPAC Name1-[2-(1-adamantyl)ethoxy]-3-piperidin-1-ylpropan-2-ol;hydrochloride
SMILESCl.OC(COCCC12CC3CC(CC(C3)C1)C2)CN1CCCCC1
InChIInChI=1S/C20H35NO2.ClH/c22-19(14-21-5-2-1-3-6-21)15-23-7-4-20-11-16-8-17(12-20)10-18(9-16)13-20;/h16-19,22H,1-15H2;1H
InChIKeyHYSYYOSXGDCLOS-UHFFFAOYSA-N
XLogP3.88
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.97
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(Adamantan-1-YL)ethoxy]-3-(pyrrolidin-1-YL)propan-2-OL hydrochloride
CID 2882803
1-(3,5-Dimethyl-1-adamantyl)-2-(4-morpholinyl)ethanol hydrochloride
CID 6460908
1-(3,5-Dimethylpiperidin-1-yl)-3-[(3,3,5-trimethylcyclohexyl)oxy]propan-2-ol
CID 23723107
1-[2-(1-Adamantyl)ethoxy]-3-(4-methyl-1-piperidinyl)-2-propanol hydrochloride
CID 2834357
1-(Adamantan-2-yloxy)-3-morpholin-4-yl-propan-2-ol
CID 2836050
1-[2-(1-Adamantyl)ethoxy]-3-[bis(2-hydroxyethyl)amino]-2-propanol hydrochloride
CID 2882158
1-(4-Tert-butylcyclohexyl)oxy-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride
CID 2882591
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
(2R,3R,4R)-1-[5-(1-adamantylmethoxy)pentyl]-2-(hydroxymethyl)piperidine-3,4-diol
CID 70693626
(2S,3R,4R)-1-[5-(1-adamantylmethoxy)pentyl]-2-(hydroxymethyl)piperidine-3,4-diol
CID 70695737

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-adamantyl)ethoxy]-3-piperidin-1-ylpropan-2-ol;hydrochloride?
The IUPAC name of 1-[2-(1-adamantyl)ethoxy]-3-piperidin-1-ylpropan-2-ol;hydrochloride (CID 2769757) is 1-[2-(1-adamantyl)ethoxy]-3-piperidin-1-ylpropan-2-ol;hydrochloride.
What is the SMILES notation for 1-[2-(1-adamantyl)ethoxy]-3-piperidin-1-ylpropan-2-ol;hydrochloride?
The canonical SMILES for 1-[2-(1-adamantyl)ethoxy]-3-piperidin-1-ylpropan-2-ol;hydrochloride is Cl.OC(COCCC12CC3CC(CC(C3)C1)C2)CN1CCCCC1.
What is the InChIKey of 1-[2-(1-adamantyl)ethoxy]-3-piperidin-1-ylpropan-2-ol;hydrochloride?
The InChIKey is HYSYYOSXGDCLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO2.ClH/c22-19(14-21-5-2-1-3-6-21)15-23-7-4-20-11-16-8-17(12-20)10-18(9-16)13-20;/h16-19,22H,1-15H2;1H.
What are the key properties of 1-[2-(1-adamantyl)ethoxy]-3-piperidin-1-ylpropan-2-ol;hydrochloride?
1-[2-(1-adamantyl)ethoxy]-3-piperidin-1-ylpropan-2-ol;hydrochloride has a molecular weight of 357.97 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-adamantyl)ethoxy]-3-piperidin-1-ylpropan-2-ol;hydrochloride is sourced from PubChem (CID 2769757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).