(2R)-1-[2-(2-propan-2-yloxyethyl)piperidin-1-yl]butan-2-ol

C14H29NO2 — CID 84587557

IUPAC(2R)-1-[2-(2-propan-2-yloxyethyl)piperidin-1-yl]butan-2-ol
SMILESCC[C@@H](O)CN1CCCCC1CCOC(C)C
InChIInChI=1S/C14H29NO2/c1-4-14(16)11-15-9-6-5-7-13(15)8-10-17-12(2)3/h12-14,16H,4-11H2,1-3H3/t13?,14-/m1/s1
InChIKeyZIBLZWALEBXVSQ-ARLHGKGLSA-N
MW243.39 g/mol
LogP2.43
Rot. Bonds7

About (2R)-1-[2-(2-propan-2-yloxyethyl)piperidin-1-yl]butan-2-ol

(2R)-1-[2-(2-propan-2-yloxyethyl)piperidin-1-yl]butan-2-ol (PubChem CID 84587557) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is (2R)-1-[2-(2-propan-2-yloxyethyl)piperidin-1-yl]butan-2-ol.

Molecular Properties

Compound Name(2R)-1-[2-(2-propan-2-yloxyethyl)piperidin-1-yl]butan-2-ol
PubChem CID84587557
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name(2R)-1-[2-(2-propan-2-yloxyethyl)piperidin-1-yl]butan-2-ol
SMILESCC[C@@H](O)CN1CCCCC1CCOC(C)C
InChIInChI=1S/C14H29NO2/c1-4-14(16)11-15-9-6-5-7-13(15)8-10-17-12(2)3/h12-14,16H,4-11H2,1-3H3/t13?,14-/m1/s1
InChIKeyZIBLZWALEBXVSQ-ARLHGKGLSA-N
XLogP2.43
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(2-propan-2-yloxyethyl)piperidin-1-yl]butan-2-ol?
The IUPAC name of (2R)-1-[2-(2-propan-2-yloxyethyl)piperidin-1-yl]butan-2-ol (CID 84587557) is (2R)-1-[2-(2-propan-2-yloxyethyl)piperidin-1-yl]butan-2-ol.
What is the SMILES notation for (2R)-1-[2-(2-propan-2-yloxyethyl)piperidin-1-yl]butan-2-ol?
The canonical SMILES for (2R)-1-[2-(2-propan-2-yloxyethyl)piperidin-1-yl]butan-2-ol is CC[C@@H](O)CN1CCCCC1CCOC(C)C.
What is the InChIKey of (2R)-1-[2-(2-propan-2-yloxyethyl)piperidin-1-yl]butan-2-ol?
The InChIKey is ZIBLZWALEBXVSQ-ARLHGKGLSA-N. The full InChI is InChI=1S/C14H29NO2/c1-4-14(16)11-15-9-6-5-7-13(15)8-10-17-12(2)3/h12-14,16H,4-11H2,1-3H3/t13?,14-/m1/s1.
What are the key properties of (2R)-1-[2-(2-propan-2-yloxyethyl)piperidin-1-yl]butan-2-ol?
(2R)-1-[2-(2-propan-2-yloxyethyl)piperidin-1-yl]butan-2-ol has a molecular weight of 243.39 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(2-propan-2-yloxyethyl)piperidin-1-yl]butan-2-ol is sourced from PubChem (CID 84587557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).