1-(1H-imidazol-5-ylmethyl)-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol

C14H24N4O — CID 70710432

IUPAC1-(1H-imidazol-5-ylmethyl)-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol
SMILESOC1(CN2CCCCC2)CCN(Cc2cnc[nH]2)C1
InChIInChI=1S/C14H24N4O/c19-14(10-17-5-2-1-3-6-17)4-7-18(11-14)9-13-8-15-12-16-13/h8,12,19H,1-7,9-11H2,(H,15,16)
InChIKeyNBUWGNPKNLGZJW-UHFFFAOYSA-N
MW264.37 g/mol
LogP0.83
Rot. Bonds4

About 1-(1H-imidazol-5-ylmethyl)-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol

1-(1H-imidazol-5-ylmethyl)-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol (PubChem CID 70710432) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(1H-imidazol-5-ylmethyl)-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(1H-imidazol-5-ylmethyl)-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol
PubChem CID70710432
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name1-(1H-imidazol-5-ylmethyl)-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol
SMILESOC1(CN2CCCCC2)CCN(Cc2cnc[nH]2)C1
InChIInChI=1S/C14H24N4O/c19-14(10-17-5-2-1-3-6-17)4-7-18(11-14)9-13-8-15-12-16-13/h8,12,19H,1-7,9-11H2,(H,15,16)
InChIKeyNBUWGNPKNLGZJW-UHFFFAOYSA-N
XLogP0.83
TPSA55.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-ylmethyl)-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of 1-(1H-imidazol-5-ylmethyl)-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol (CID 70710432) is 1-(1H-imidazol-5-ylmethyl)-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(1H-imidazol-5-ylmethyl)-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(1H-imidazol-5-ylmethyl)-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol is OC1(CN2CCCCC2)CCN(Cc2cnc[nH]2)C1.
What is the InChIKey of 1-(1H-imidazol-5-ylmethyl)-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol?
The InChIKey is NBUWGNPKNLGZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c19-14(10-17-5-2-1-3-6-17)4-7-18(11-14)9-13-8-15-12-16-13/h8,12,19H,1-7,9-11H2,(H,15,16).
What are the key properties of 1-(1H-imidazol-5-ylmethyl)-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol?
1-(1H-imidazol-5-ylmethyl)-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol has a molecular weight of 264.37 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-ylmethyl)-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 70710432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).