1-(5-methylidene-1-propan-2-yl-2H-pyrrol-3-yl)piperidin-4-ol

C13H22N2O — CID 58337001

IUPAC1-(5-methylidene-1-propan-2-yl-2H-pyrrol-3-yl)piperidin-4-ol
SMILESC=C1C=C(N2CCC(O)CC2)CN1C(C)C
InChIInChI=1S/C13H22N2O/c1-10(2)15-9-12(8-11(15)3)14-6-4-13(16)5-7-14/h8,10,13,16H,3-7,9H2,1-2H3
InChIKeyACFSPCWSFXDDAU-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.56
Rot. Bonds2

About 1-(5-methylidene-1-propan-2-yl-2H-pyrrol-3-yl)piperidin-4-ol

1-(5-methylidene-1-propan-2-yl-2H-pyrrol-3-yl)piperidin-4-ol (PubChem CID 58337001) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(5-methylidene-1-propan-2-yl-2H-pyrrol-3-yl)piperidin-4-ol.

Molecular Properties

Compound Name1-(5-methylidene-1-propan-2-yl-2H-pyrrol-3-yl)piperidin-4-ol
PubChem CID58337001
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-(5-methylidene-1-propan-2-yl-2H-pyrrol-3-yl)piperidin-4-ol
SMILESC=C1C=C(N2CCC(O)CC2)CN1C(C)C
InChIInChI=1S/C13H22N2O/c1-10(2)15-9-12(8-11(15)3)14-6-4-13(16)5-7-14/h8,10,13,16H,3-7,9H2,1-2H3
InChIKeyACFSPCWSFXDDAU-UHFFFAOYSA-N
XLogP1.56
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylidene-1-propan-2-yl-2H-pyrrol-3-yl)piperidin-4-ol?
The IUPAC name of 1-(5-methylidene-1-propan-2-yl-2H-pyrrol-3-yl)piperidin-4-ol (CID 58337001) is 1-(5-methylidene-1-propan-2-yl-2H-pyrrol-3-yl)piperidin-4-ol.
What is the SMILES notation for 1-(5-methylidene-1-propan-2-yl-2H-pyrrol-3-yl)piperidin-4-ol?
The canonical SMILES for 1-(5-methylidene-1-propan-2-yl-2H-pyrrol-3-yl)piperidin-4-ol is C=C1C=C(N2CCC(O)CC2)CN1C(C)C.
What is the InChIKey of 1-(5-methylidene-1-propan-2-yl-2H-pyrrol-3-yl)piperidin-4-ol?
The InChIKey is ACFSPCWSFXDDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-10(2)15-9-12(8-11(15)3)14-6-4-13(16)5-7-14/h8,10,13,16H,3-7,9H2,1-2H3.
What are the key properties of 1-(5-methylidene-1-propan-2-yl-2H-pyrrol-3-yl)piperidin-4-ol?
1-(5-methylidene-1-propan-2-yl-2H-pyrrol-3-yl)piperidin-4-ol has a molecular weight of 222.33 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylidene-1-propan-2-yl-2H-pyrrol-3-yl)piperidin-4-ol is sourced from PubChem (CID 58337001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).