trans-(1R,2R)-2-[4-(dimethylamino)piperidin-1-yl]cyclobutan-1-ol

C11H22N2O — CID 131701466

IUPACtrans-(1R,2R)-2-[4-(dimethylamino)piperidin-1-yl]cyclobutan-1-ol
SMILESCN(C)C1CCN([C@@H]2CC[C@H]2O)CC1
InChIInChI=1S/C11H22N2O/c1-12(2)9-5-7-13(8-6-9)10-3-4-11(10)14/h9-11,14H,3-8H2,1-2H3/t10-,11-/m1/s1
InChIKeyQIAXKLIWRCQREI-GHMZBOCLSA-N
MW198.31 g/mol
LogP0.54
Rot. Bonds2

About trans-(1R,2R)-2-[4-(dimethylamino)piperidin-1-yl]cyclobutan-1-ol

trans-(1R,2R)-2-[4-(dimethylamino)piperidin-1-yl]cyclobutan-1-ol (PubChem CID 131701466) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is trans-(1R,2R)-2-[4-(dimethylamino)piperidin-1-yl]cyclobutan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[4-(dimethylamino)piperidin-1-yl]cyclobutan-1-ol
PubChem CID131701466
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Nametrans-(1R,2R)-2-[4-(dimethylamino)piperidin-1-yl]cyclobutan-1-ol
SMILESCN(C)C1CCN([C@@H]2CC[C@H]2O)CC1
InChIInChI=1S/C11H22N2O/c1-12(2)9-5-7-13(8-6-9)10-3-4-11(10)14/h9-11,14H,3-8H2,1-2H3/t10-,11-/m1/s1
InChIKeyQIAXKLIWRCQREI-GHMZBOCLSA-N
XLogP0.54
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[4-(dimethylamino)piperidin-1-yl]cyclobutan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[4-(dimethylamino)piperidin-1-yl]cyclobutan-1-ol (CID 131701466) is trans-(1R,2R)-2-[4-(dimethylamino)piperidin-1-yl]cyclobutan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[4-(dimethylamino)piperidin-1-yl]cyclobutan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[4-(dimethylamino)piperidin-1-yl]cyclobutan-1-ol is CN(C)C1CCN([C@@H]2CC[C@H]2O)CC1.
What is the InChIKey of trans-(1R,2R)-2-[4-(dimethylamino)piperidin-1-yl]cyclobutan-1-ol?
The InChIKey is QIAXKLIWRCQREI-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H22N2O/c1-12(2)9-5-7-13(8-6-9)10-3-4-11(10)14/h9-11,14H,3-8H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[4-(dimethylamino)piperidin-1-yl]cyclobutan-1-ol?
trans-(1R,2R)-2-[4-(dimethylamino)piperidin-1-yl]cyclobutan-1-ol has a molecular weight of 198.31 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[4-(dimethylamino)piperidin-1-yl]cyclobutan-1-ol is sourced from PubChem (CID 131701466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).