2-[1-[(3-cyclopropylimidazol-4-yl)methyl]piperidin-3-yl]ethanol

C14H23N3O — CID 66146552

IUPAC2-[1-[(3-cyclopropylimidazol-4-yl)methyl]piperidin-3-yl]ethanol
SMILESOCCC1CCCN(Cc2cncn2C2CC2)C1
InChIInChI=1S/C14H23N3O/c18-7-5-12-2-1-6-16(9-12)10-14-8-15-11-17(14)13-3-4-13/h8,11-13,18H,1-7,9-10H2
InChIKeyQTHGVDKVWBCLNF-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.81
Rot. Bonds5

About 2-[1-[(3-cyclopropylimidazol-4-yl)methyl]piperidin-3-yl]ethanol

2-[1-[(3-cyclopropylimidazol-4-yl)methyl]piperidin-3-yl]ethanol (PubChem CID 66146552) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-[1-[(3-cyclopropylimidazol-4-yl)methyl]piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(3-cyclopropylimidazol-4-yl)methyl]piperidin-3-yl]ethanol
PubChem CID66146552
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-[1-[(3-cyclopropylimidazol-4-yl)methyl]piperidin-3-yl]ethanol
SMILESOCCC1CCCN(Cc2cncn2C2CC2)C1
InChIInChI=1S/C14H23N3O/c18-7-5-12-2-1-6-16(9-12)10-14-8-15-11-17(14)13-3-4-13/h8,11-13,18H,1-7,9-10H2
InChIKeyQTHGVDKVWBCLNF-UHFFFAOYSA-N
XLogP1.81
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-cyclopropylimidazol-4-yl)methyl]piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-[(3-cyclopropylimidazol-4-yl)methyl]piperidin-3-yl]ethanol (CID 66146552) is 2-[1-[(3-cyclopropylimidazol-4-yl)methyl]piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[(3-cyclopropylimidazol-4-yl)methyl]piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[(3-cyclopropylimidazol-4-yl)methyl]piperidin-3-yl]ethanol is OCCC1CCCN(Cc2cncn2C2CC2)C1.
What is the InChIKey of 2-[1-[(3-cyclopropylimidazol-4-yl)methyl]piperidin-3-yl]ethanol?
The InChIKey is QTHGVDKVWBCLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c18-7-5-12-2-1-6-16(9-12)10-14-8-15-11-17(14)13-3-4-13/h8,11-13,18H,1-7,9-10H2.
What are the key properties of 2-[1-[(3-cyclopropylimidazol-4-yl)methyl]piperidin-3-yl]ethanol?
2-[1-[(3-cyclopropylimidazol-4-yl)methyl]piperidin-3-yl]ethanol has a molecular weight of 249.36 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-cyclopropylimidazol-4-yl)methyl]piperidin-3-yl]ethanol is sourced from PubChem (CID 66146552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).