1-(1-methylpyrrol-2-yl)-2-piperidin-1-ylethanol

C12H20N2O — CID 11206576

IUPAC1-(1-methylpyrrol-2-yl)-2-piperidin-1-ylethanol
SMILESCn1cccc1C(O)CN1CCCCC1
InChIInChI=1S/C12H20N2O/c1-13-7-5-6-11(13)12(15)10-14-8-3-2-4-9-14/h5-7,12,15H,2-4,8-10H2,1H3
InChIKeyMXUQZALAHTWJAZ-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.54
Rot. Bonds3

About 1-(1-methylpyrrol-2-yl)-2-piperidin-1-ylethanol

1-(1-methylpyrrol-2-yl)-2-piperidin-1-ylethanol (PubChem CID 11206576) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-(1-methylpyrrol-2-yl)-2-piperidin-1-ylethanol.

Molecular Properties

Compound Name1-(1-methylpyrrol-2-yl)-2-piperidin-1-ylethanol
PubChem CID11206576
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name1-(1-methylpyrrol-2-yl)-2-piperidin-1-ylethanol
SMILESCn1cccc1C(O)CN1CCCCC1
InChIInChI=1S/C12H20N2O/c1-13-7-5-6-11(13)12(15)10-14-8-3-2-4-9-14/h5-7,12,15H,2-4,8-10H2,1H3
InChIKeyMXUQZALAHTWJAZ-UHFFFAOYSA-N
XLogP1.54
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrrol-2-yl)-2-piperidin-1-ylethanol?
The IUPAC name of 1-(1-methylpyrrol-2-yl)-2-piperidin-1-ylethanol (CID 11206576) is 1-(1-methylpyrrol-2-yl)-2-piperidin-1-ylethanol.
What is the SMILES notation for 1-(1-methylpyrrol-2-yl)-2-piperidin-1-ylethanol?
The canonical SMILES for 1-(1-methylpyrrol-2-yl)-2-piperidin-1-ylethanol is Cn1cccc1C(O)CN1CCCCC1.
What is the InChIKey of 1-(1-methylpyrrol-2-yl)-2-piperidin-1-ylethanol?
The InChIKey is MXUQZALAHTWJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-13-7-5-6-11(13)12(15)10-14-8-3-2-4-9-14/h5-7,12,15H,2-4,8-10H2,1H3.
What are the key properties of 1-(1-methylpyrrol-2-yl)-2-piperidin-1-ylethanol?
1-(1-methylpyrrol-2-yl)-2-piperidin-1-ylethanol has a molecular weight of 208.31 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrrol-2-yl)-2-piperidin-1-ylethanol is sourced from PubChem (CID 11206576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).