ethane;2-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]propan-2-ol

C15H33NO2 — CID 156869049

IUPACethane;2-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]propan-2-ol
SMILESCC.CC(C)OCCN1CCC(C(C)(C)O)CC1
InChIInChI=1S/C13H27NO2.C2H6/c1-11(2)16-10-9-14-7-5-12(6-8-14)13(3,4)15;1-2/h11-12,15H,5-10H2,1-4H3;1-2H3
InChIKeyKLHUHLOOFIHWFC-UHFFFAOYSA-N
MW259.43 g/mol
LogP2.92
Rot. Bonds5

About ethane;2-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]propan-2-ol

ethane;2-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]propan-2-ol (PubChem CID 156869049) has the molecular formula C15H33NO2 and a molecular weight of 259.43 g/mol. Its IUPAC name is ethane;2-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]propan-2-ol.

Molecular Properties

Compound Nameethane;2-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]propan-2-ol
PubChem CID156869049
Molecular FormulaC15H33NO2
Molecular Weight259.43 g/mol
Exact Mass259.25
IUPAC Nameethane;2-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]propan-2-ol
SMILESCC.CC(C)OCCN1CCC(C(C)(C)O)CC1
InChIInChI=1S/C13H27NO2.C2H6/c1-11(2)16-10-9-14-7-5-12(6-8-14)13(3,4)15;1-2/h11-12,15H,5-10H2,1-4H3;1-2H3
InChIKeyKLHUHLOOFIHWFC-UHFFFAOYSA-N
XLogP2.92
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(bromomethyl)-1-(2-propan-2-yloxyethyl)piperidine
CID 80677013
ethane;2-[1-(3-ethoxypropyl)piperidin-4-yl]propan-2-ol
CID 154661407
4-bromo-1-(2-propan-2-yloxyethyl)piperidine
CID 80679344
N-[[1-(2-propan-2-yloxyethyl)piperidin-4-yl]methyl]propan-1-amine
CID 62592739
4-(3,5-dimethylhept-6-en-3-yl)-1-(2-propan-2-yloxyethyl)piperidine
CID 177203652
[1-(2-propan-2-yloxyethyl)piperidin-4-yl]methanamine
CID 61485123
N-methyl-1-(2-propan-2-yloxyethyl)piperidin-4-amine;hydrochloride
CID 119923511
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-(2-propan-2-yloxyethyl)piperazine
CID 135217006
1-cyclopropyl-4-(2-propan-2-yloxyethyl)piperazine
CID 166028340
3-bromo-1-(2-propan-2-yloxyethyl)pyrrolidine
CID 80676052
2-(cyclopropylmethylamino)-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]acetamide
CID 119898185
2-[1-(2-ethylsulfonylethyl)piperidin-4-yl]propan-2-ol
CID 59216610

Frequently Asked Questions

What is the IUPAC name of ethane;2-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]propan-2-ol?
The IUPAC name of ethane;2-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]propan-2-ol (CID 156869049) is ethane;2-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]propan-2-ol.
What is the SMILES notation for ethane;2-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]propan-2-ol?
The canonical SMILES for ethane;2-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]propan-2-ol is CC.CC(C)OCCN1CCC(C(C)(C)O)CC1.
What is the InChIKey of ethane;2-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]propan-2-ol?
The InChIKey is KLHUHLOOFIHWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2.C2H6/c1-11(2)16-10-9-14-7-5-12(6-8-14)13(3,4)15;1-2/h11-12,15H,5-10H2,1-4H3;1-2H3.
What are the key properties of ethane;2-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]propan-2-ol?
ethane;2-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]propan-2-ol has a molecular weight of 259.43 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]propan-2-ol is sourced from PubChem (CID 156869049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).