[(2S)-1-[(2S)-2-propylpiperidin-1-yl]pyrrolidin-2-yl]methanol

C13H26N2O — CID 11064155

IUPAC[(2S)-1-[(2S)-2-propylpiperidin-1-yl]pyrrolidin-2-yl]methanol
SMILESCCC[C@H]1CCCCN1N1CCC[C@H]1CO
InChIInChI=1S/C13H26N2O/c1-2-6-12-7-3-4-9-14(12)15-10-5-8-13(15)11-16/h12-13,16H,2-11H2,1H3/t12-,13-/m0/s1
InChIKeyCEKZETPZKIWAOG-STQMWFEESA-N
MW226.36 g/mol
LogP2.01
Rot. Bonds4

About [(2S)-1-[(2S)-2-propylpiperidin-1-yl]pyrrolidin-2-yl]methanol

[(2S)-1-[(2S)-2-propylpiperidin-1-yl]pyrrolidin-2-yl]methanol (PubChem CID 11064155) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is [(2S)-1-[(2S)-2-propylpiperidin-1-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-[(2S)-2-propylpiperidin-1-yl]pyrrolidin-2-yl]methanol
PubChem CID11064155
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name[(2S)-1-[(2S)-2-propylpiperidin-1-yl]pyrrolidin-2-yl]methanol
SMILESCCC[C@H]1CCCCN1N1CCC[C@H]1CO
InChIInChI=1S/C13H26N2O/c1-2-6-12-7-3-4-9-14(12)15-10-5-8-13(15)11-16/h12-13,16H,2-11H2,1H3/t12-,13-/m0/s1
InChIKeyCEKZETPZKIWAOG-STQMWFEESA-N
XLogP2.01
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(2S)-2-propylpiperidin-1-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-[(2S)-2-propylpiperidin-1-yl]pyrrolidin-2-yl]methanol (CID 11064155) is [(2S)-1-[(2S)-2-propylpiperidin-1-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-[(2S)-2-propylpiperidin-1-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-[(2S)-2-propylpiperidin-1-yl]pyrrolidin-2-yl]methanol is CCC[C@H]1CCCCN1N1CCC[C@H]1CO.
What is the InChIKey of [(2S)-1-[(2S)-2-propylpiperidin-1-yl]pyrrolidin-2-yl]methanol?
The InChIKey is CEKZETPZKIWAOG-STQMWFEESA-N. The full InChI is InChI=1S/C13H26N2O/c1-2-6-12-7-3-4-9-14(12)15-10-5-8-13(15)11-16/h12-13,16H,2-11H2,1H3/t12-,13-/m0/s1.
What are the key properties of [(2S)-1-[(2S)-2-propylpiperidin-1-yl]pyrrolidin-2-yl]methanol?
[(2S)-1-[(2S)-2-propylpiperidin-1-yl]pyrrolidin-2-yl]methanol has a molecular weight of 226.36 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(2S)-2-propylpiperidin-1-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 11064155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).