1-piperidin-1-yl-3-propan-2-yloxypropan-2-ol;hydrochloride

C11H24ClNO2 — CID 2945867

IUPAC1-piperidin-1-yl-3-propan-2-yloxypropan-2-ol;hydrochloride
SMILESCC(C)OCC(O)CN1CCCCC1.Cl
InChIInChI=1S/C11H23NO2.ClH/c1-10(2)14-9-11(13)8-12-6-4-3-5-7-12;/h10-11,13H,3-9H2,1-2H3;1H
InChIKeyJUKRCJBPAWDQNI-UHFFFAOYSA-N
MW237.77 g/mol
LogP1.68
Rot. Bonds5

About 1-piperidin-1-yl-3-propan-2-yloxypropan-2-ol;hydrochloride

1-piperidin-1-yl-3-propan-2-yloxypropan-2-ol;hydrochloride (PubChem CID 2945867) has the molecular formula C11H24ClNO2 and a molecular weight of 237.77 g/mol. Its IUPAC name is 1-piperidin-1-yl-3-propan-2-yloxypropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-piperidin-1-yl-3-propan-2-yloxypropan-2-ol;hydrochloride
PubChem CID2945867
Molecular FormulaC11H24ClNO2
Molecular Weight237.77 g/mol
Exact Mass237.15
IUPAC Name1-piperidin-1-yl-3-propan-2-yloxypropan-2-ol;hydrochloride
SMILESCC(C)OCC(O)CN1CCCCC1.Cl
InChIInChI=1S/C11H23NO2.ClH/c1-10(2)14-9-11(13)8-12-6-4-3-5-7-12;/h10-11,13H,3-9H2,1-2H3;1H
InChIKeyJUKRCJBPAWDQNI-UHFFFAOYSA-N
XLogP1.68
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Piperidinopropane-1,2-diol
CID 97824
1-Butoxy-3-(morpholin-4-yl)propan-2-ol
CID 215187
1-[2-(2-Hydroxyethoxy)Ethyl]Piperidine
CID 4455977
1-(4-Ethyl-1-piperazinyl)-3-isopropoxy-2-propanol dihydrochloride
CID 11958894
1-Butoxy-3-(piperidin-1-yl)propan-2-ol
CID 566700
2-Propanol, 1-butoxy-3-(dibutylamino)-, hydrochloride
CID 3040148
1-Methoxy-3-(morpholin-4-yl)propan-2-ol
CID 4645420
2-(4-Methoxy-piperidin-1-yl)-ethanol
CID 20696619
1-(2-Methoxyethyl)piperidin-4-ol
CID 21353752
1-(4-Methylmorpholin-2-yl)ethan-1-ol
CID 70032131
2-Propanol, 3-(1-piperidyl)-1-propoxy-
CID 566887
3-(Tert-butoxy)-1-morpholin-4-ylpropan-2-ol
CID 16456247

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-3-propan-2-yloxypropan-2-ol;hydrochloride?
The IUPAC name of 1-piperidin-1-yl-3-propan-2-yloxypropan-2-ol;hydrochloride (CID 2945867) is 1-piperidin-1-yl-3-propan-2-yloxypropan-2-ol;hydrochloride.
What is the SMILES notation for 1-piperidin-1-yl-3-propan-2-yloxypropan-2-ol;hydrochloride?
The canonical SMILES for 1-piperidin-1-yl-3-propan-2-yloxypropan-2-ol;hydrochloride is CC(C)OCC(O)CN1CCCCC1.Cl.
What is the InChIKey of 1-piperidin-1-yl-3-propan-2-yloxypropan-2-ol;hydrochloride?
The InChIKey is JUKRCJBPAWDQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2.ClH/c1-10(2)14-9-11(13)8-12-6-4-3-5-7-12;/h10-11,13H,3-9H2,1-2H3;1H.
What are the key properties of 1-piperidin-1-yl-3-propan-2-yloxypropan-2-ol;hydrochloride?
1-piperidin-1-yl-3-propan-2-yloxypropan-2-ol;hydrochloride has a molecular weight of 237.77 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-3-propan-2-yloxypropan-2-ol;hydrochloride is sourced from PubChem (CID 2945867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).