(2S)-1-piperidin-1-yl-3-propan-2-yloxypropan-2-ol

C11H23NO2 — CID 969801

IUPAC(2S)-1-piperidin-1-yl-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OC[C@@H](O)CN1CCCCC1
InChIInChI=1S/C11H23NO2/c1-10(2)14-9-11(13)8-12-6-4-3-5-7-12/h10-11,13H,3-9H2,1-2H3/t11-/m0/s1
InChIKeyCXKIBZQUUMGOCK-NSHDSACASA-N
MW201.31 g/mol
LogP1.26
Rot. Bonds5

About (2S)-1-piperidin-1-yl-3-propan-2-yloxypropan-2-ol

(2S)-1-piperidin-1-yl-3-propan-2-yloxypropan-2-ol (PubChem CID 969801) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is (2S)-1-piperidin-1-yl-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name(2S)-1-piperidin-1-yl-3-propan-2-yloxypropan-2-ol
PubChem CID969801
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name(2S)-1-piperidin-1-yl-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OC[C@@H](O)CN1CCCCC1
InChIInChI=1S/C11H23NO2/c1-10(2)14-9-11(13)8-12-6-4-3-5-7-12/h10-11,13H,3-9H2,1-2H3/t11-/m0/s1
InChIKeyCXKIBZQUUMGOCK-NSHDSACASA-N
XLogP1.26
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-piperidin-1-yl-3-propan-2-yloxypropan-2-ol?
The IUPAC name of (2S)-1-piperidin-1-yl-3-propan-2-yloxypropan-2-ol (CID 969801) is (2S)-1-piperidin-1-yl-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for (2S)-1-piperidin-1-yl-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for (2S)-1-piperidin-1-yl-3-propan-2-yloxypropan-2-ol is CC(C)OC[C@@H](O)CN1CCCCC1.
What is the InChIKey of (2S)-1-piperidin-1-yl-3-propan-2-yloxypropan-2-ol?
The InChIKey is CXKIBZQUUMGOCK-NSHDSACASA-N. The full InChI is InChI=1S/C11H23NO2/c1-10(2)14-9-11(13)8-12-6-4-3-5-7-12/h10-11,13H,3-9H2,1-2H3/t11-/m0/s1.
What are the key properties of (2S)-1-piperidin-1-yl-3-propan-2-yloxypropan-2-ol?
(2S)-1-piperidin-1-yl-3-propan-2-yloxypropan-2-ol has a molecular weight of 201.31 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-piperidin-1-yl-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 969801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).