1-[(2S)-1-(3-methylpiperidin-4-yl)pyrrolidin-2-yl]propan-2-ol

C13H26N2O — CID 134335429

IUPAC1-[(2S)-1-(3-methylpiperidin-4-yl)pyrrolidin-2-yl]propan-2-ol
SMILESCC(O)C[C@@H]1CCCN1C1CCNCC1C
InChIInChI=1S/C13H26N2O/c1-10-9-14-6-5-13(10)15-7-3-4-12(15)8-11(2)16/h10-14,16H,3-9H2,1-2H3/t10?,11?,12-,13?/m0/s1
InChIKeyHJJUWGRIAHOULY-ARAJFMJPSA-N
MW226.36 g/mol
LogP1.22
Rot. Bonds3

About 1-[(2S)-1-(3-methylpiperidin-4-yl)pyrrolidin-2-yl]propan-2-ol

1-[(2S)-1-(3-methylpiperidin-4-yl)pyrrolidin-2-yl]propan-2-ol (PubChem CID 134335429) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-[(2S)-1-(3-methylpiperidin-4-yl)pyrrolidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[(2S)-1-(3-methylpiperidin-4-yl)pyrrolidin-2-yl]propan-2-ol
PubChem CID134335429
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-[(2S)-1-(3-methylpiperidin-4-yl)pyrrolidin-2-yl]propan-2-ol
SMILESCC(O)C[C@@H]1CCCN1C1CCNCC1C
InChIInChI=1S/C13H26N2O/c1-10-9-14-6-5-13(10)15-7-3-4-12(15)8-11(2)16/h10-14,16H,3-9H2,1-2H3/t10?,11?,12-,13?/m0/s1
InChIKeyHJJUWGRIAHOULY-ARAJFMJPSA-N
XLogP1.22
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-(3-methylpiperidin-4-yl)pyrrolidin-2-yl]propan-2-ol?
The IUPAC name of 1-[(2S)-1-(3-methylpiperidin-4-yl)pyrrolidin-2-yl]propan-2-ol (CID 134335429) is 1-[(2S)-1-(3-methylpiperidin-4-yl)pyrrolidin-2-yl]propan-2-ol.
What is the SMILES notation for 1-[(2S)-1-(3-methylpiperidin-4-yl)pyrrolidin-2-yl]propan-2-ol?
The canonical SMILES for 1-[(2S)-1-(3-methylpiperidin-4-yl)pyrrolidin-2-yl]propan-2-ol is CC(O)C[C@@H]1CCCN1C1CCNCC1C.
What is the InChIKey of 1-[(2S)-1-(3-methylpiperidin-4-yl)pyrrolidin-2-yl]propan-2-ol?
The InChIKey is HJJUWGRIAHOULY-ARAJFMJPSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10-9-14-6-5-13(10)15-7-3-4-12(15)8-11(2)16/h10-14,16H,3-9H2,1-2H3/t10?,11?,12-,13?/m0/s1.
What are the key properties of 1-[(2S)-1-(3-methylpiperidin-4-yl)pyrrolidin-2-yl]propan-2-ol?
1-[(2S)-1-(3-methylpiperidin-4-yl)pyrrolidin-2-yl]propan-2-ol has a molecular weight of 226.36 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-(3-methylpiperidin-4-yl)pyrrolidin-2-yl]propan-2-ol is sourced from PubChem (CID 134335429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).