1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-imidazol-1-ylpropan-1-one

C13H21N3O2 — CID 62371106

IUPAC1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-imidazol-1-ylpropan-1-one
SMILESO=C(CCn1ccnc1)N1CCCC(CCO)C1
InChIInChI=1S/C13H21N3O2/c17-9-4-12-2-1-6-16(10-12)13(18)3-7-15-8-5-14-11-15/h5,8,11-12,17H,1-4,6-7,9-10H2
InChIKeySFTPHFAACHDQQZ-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.89
Rot. Bonds5

About 1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-imidazol-1-ylpropan-1-one

1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-imidazol-1-ylpropan-1-one (PubChem CID 62371106) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-imidazol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-imidazol-1-ylpropan-1-one
PubChem CID62371106
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-imidazol-1-ylpropan-1-one
SMILESO=C(CCn1ccnc1)N1CCCC(CCO)C1
InChIInChI=1S/C13H21N3O2/c17-9-4-12-2-1-6-16(10-12)13(18)3-7-15-8-5-14-11-15/h5,8,11-12,17H,1-4,6-7,9-10H2
InChIKeySFTPHFAACHDQQZ-UHFFFAOYSA-N
XLogP0.89
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-imidazol-1-ylpropan-1-one?
The IUPAC name of 1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-imidazol-1-ylpropan-1-one (CID 62371106) is 1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-imidazol-1-ylpropan-1-one.
What is the SMILES notation for 1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-imidazol-1-ylpropan-1-one?
The canonical SMILES for 1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-imidazol-1-ylpropan-1-one is O=C(CCn1ccnc1)N1CCCC(CCO)C1.
What is the InChIKey of 1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-imidazol-1-ylpropan-1-one?
The InChIKey is SFTPHFAACHDQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c17-9-4-12-2-1-6-16(10-12)13(18)3-7-15-8-5-14-11-15/h5,8,11-12,17H,1-4,6-7,9-10H2.
What are the key properties of 1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-imidazol-1-ylpropan-1-one?
1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-imidazol-1-ylpropan-1-one has a molecular weight of 251.33 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-imidazol-1-ylpropan-1-one is sourced from PubChem (CID 62371106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).