4-(2,5-dihydro-1H-pyrrol-2-yl)piperidin-4-ol

C9H16N2O — CID 130510184

IUPAC4-(2,5-dihydro-1H-pyrrol-2-yl)piperidin-4-ol
SMILESOC1(C2C=CCN2)CCNCC1
InChIInChI=1S/C9H16N2O/c12-9(3-6-10-7-4-9)8-2-1-5-11-8/h1-2,8,10-12H,3-7H2
InChIKeyFJNWGSAVSPBMPR-UHFFFAOYSA-N
MW168.24 g/mol
LogP-0.37
Rot. Bonds1

About 4-(2,5-dihydro-1H-pyrrol-2-yl)piperidin-4-ol

4-(2,5-dihydro-1H-pyrrol-2-yl)piperidin-4-ol (PubChem CID 130510184) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-(2,5-dihydro-1H-pyrrol-2-yl)piperidin-4-ol.

Molecular Properties

Compound Name4-(2,5-dihydro-1H-pyrrol-2-yl)piperidin-4-ol
PubChem CID130510184
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name4-(2,5-dihydro-1H-pyrrol-2-yl)piperidin-4-ol
SMILESOC1(C2C=CCN2)CCNCC1
InChIInChI=1S/C9H16N2O/c12-9(3-6-10-7-4-9)8-2-1-5-11-8/h1-2,8,10-12H,3-7H2
InChIKeyFJNWGSAVSPBMPR-UHFFFAOYSA-N
XLogP-0.37
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dihydro-1H-pyrrol-2-yl)piperidin-4-ol?
The IUPAC name of 4-(2,5-dihydro-1H-pyrrol-2-yl)piperidin-4-ol (CID 130510184) is 4-(2,5-dihydro-1H-pyrrol-2-yl)piperidin-4-ol.
What is the SMILES notation for 4-(2,5-dihydro-1H-pyrrol-2-yl)piperidin-4-ol?
The canonical SMILES for 4-(2,5-dihydro-1H-pyrrol-2-yl)piperidin-4-ol is OC1(C2C=CCN2)CCNCC1.
What is the InChIKey of 4-(2,5-dihydro-1H-pyrrol-2-yl)piperidin-4-ol?
The InChIKey is FJNWGSAVSPBMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c12-9(3-6-10-7-4-9)8-2-1-5-11-8/h1-2,8,10-12H,3-7H2.
What are the key properties of 4-(2,5-dihydro-1H-pyrrol-2-yl)piperidin-4-ol?
4-(2,5-dihydro-1H-pyrrol-2-yl)piperidin-4-ol has a molecular weight of 168.24 g/mol, XLogP of -0.37, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dihydro-1H-pyrrol-2-yl)piperidin-4-ol is sourced from PubChem (CID 130510184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).