3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxypropan-1-ol

C13H27NO2 — CID 115883361

IUPAC3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxypropan-1-ol
SMILESCC(C)(C)CN1CCC(OCCCO)CC1
InChIInChI=1S/C13H27NO2/c1-13(2,3)11-14-7-5-12(6-8-14)16-10-4-9-15/h12,15H,4-11H2,1-3H3
InChIKeyRHJPVLRSLQQYNY-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.90
Rot. Bonds5

About 3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxypropan-1-ol

3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxypropan-1-ol (PubChem CID 115883361) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxypropan-1-ol.

Molecular Properties

Compound Name3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxypropan-1-ol
PubChem CID115883361
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxypropan-1-ol
SMILESCC(C)(C)CN1CCC(OCCCO)CC1
InChIInChI=1S/C13H27NO2/c1-13(2,3)11-14-7-5-12(6-8-14)16-10-4-9-15/h12,15H,4-11H2,1-3H3
InChIKeyRHJPVLRSLQQYNY-UHFFFAOYSA-N
XLogP1.90
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.90
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

3-[4-(2-hydroxyethoxy)piperidin-1-yl]-2,2-dimethylpropan-1-ol
CID 115773133
3-cyclopropyloxypropan-1-ol
CID 66696145
3-[4-(3-hydroxypropoxy)piperidin-1-yl]propanenitrile
CID 69021170
3-[4-(3-aminopropoxy)piperidin-1-yl]propan-1-ol
CID 79735052
4-[4-(1-methylpiperidin-4-yl)oxybutoxy]butan-1-ol
CID 175636399
3-[4-[2-[4-(2-hydroxyethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxypropan-1-ol
CID 138483628
1-(2,2-dimethylpropyl)piperidine-4-thiol
CID 137454957
2-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanol
CID 115771078
1-(2,2-dimethylpropyl)-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperidine
CID 159988708
6-[4-(6-hydroxyhexoxy)cyclohexyl]oxyhexan-1-ol
CID 54433069
2-[1-(5-sulfanylpentyl)piperidin-4-yl]oxyethanol
CID 82693649
2-[1-[2-methyl-2-(propylaminomethyl)butyl]piperidin-4-yl]oxyethanol
CID 82690867

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxypropan-1-ol?
The IUPAC name of 3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxypropan-1-ol (CID 115883361) is 3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxypropan-1-ol.
What is the SMILES notation for 3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxypropan-1-ol?
The canonical SMILES for 3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxypropan-1-ol is CC(C)(C)CN1CCC(OCCCO)CC1.
What is the InChIKey of 3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxypropan-1-ol?
The InChIKey is RHJPVLRSLQQYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-13(2,3)11-14-7-5-12(6-8-14)16-10-4-9-15/h12,15H,4-11H2,1-3H3.
What are the key properties of 3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxypropan-1-ol?
3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxypropan-1-ol has a molecular weight of 229.36 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxypropan-1-ol is sourced from PubChem (CID 115883361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).