1-[3-[2-(1H-imidazol-5-yl)imidazol-1-yl]propyl]piperidin-4-ol

C14H21N5O — CID 56869519

IUPAC1-[3-[2-(1H-imidazol-5-yl)imidazol-1-yl]propyl]piperidin-4-ol
SMILESOC1CCN(CCCn2ccnc2-c2cnc[nH]2)CC1
InChIInChI=1S/C14H21N5O/c20-12-2-7-18(8-3-12)5-1-6-19-9-4-16-14(19)13-10-15-11-17-13/h4,9-12,20H,1-3,5-8H2,(H,15,17)
InChIKeyMGNSCFMMLOVLQR-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.12
Rot. Bonds5

About 1-[3-[2-(1H-imidazol-5-yl)imidazol-1-yl]propyl]piperidin-4-ol

1-[3-[2-(1H-imidazol-5-yl)imidazol-1-yl]propyl]piperidin-4-ol (PubChem CID 56869519) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 1-[3-[2-(1H-imidazol-5-yl)imidazol-1-yl]propyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[3-[2-(1H-imidazol-5-yl)imidazol-1-yl]propyl]piperidin-4-ol
PubChem CID56869519
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name1-[3-[2-(1H-imidazol-5-yl)imidazol-1-yl]propyl]piperidin-4-ol
SMILESOC1CCN(CCCn2ccnc2-c2cnc[nH]2)CC1
InChIInChI=1S/C14H21N5O/c20-12-2-7-18(8-3-12)5-1-6-19-9-4-16-14(19)13-10-15-11-17-13/h4,9-12,20H,1-3,5-8H2,(H,15,17)
InChIKeyMGNSCFMMLOVLQR-UHFFFAOYSA-N
XLogP1.12
TPSA69.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(1H-imidazol-5-yl)imidazol-1-yl]propyl]piperidin-4-ol?
The IUPAC name of 1-[3-[2-(1H-imidazol-5-yl)imidazol-1-yl]propyl]piperidin-4-ol (CID 56869519) is 1-[3-[2-(1H-imidazol-5-yl)imidazol-1-yl]propyl]piperidin-4-ol.
What is the SMILES notation for 1-[3-[2-(1H-imidazol-5-yl)imidazol-1-yl]propyl]piperidin-4-ol?
The canonical SMILES for 1-[3-[2-(1H-imidazol-5-yl)imidazol-1-yl]propyl]piperidin-4-ol is OC1CCN(CCCn2ccnc2-c2cnc[nH]2)CC1.
What is the InChIKey of 1-[3-[2-(1H-imidazol-5-yl)imidazol-1-yl]propyl]piperidin-4-ol?
The InChIKey is MGNSCFMMLOVLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c20-12-2-7-18(8-3-12)5-1-6-19-9-4-16-14(19)13-10-15-11-17-13/h4,9-12,20H,1-3,5-8H2,(H,15,17).
What are the key properties of 1-[3-[2-(1H-imidazol-5-yl)imidazol-1-yl]propyl]piperidin-4-ol?
1-[3-[2-(1H-imidazol-5-yl)imidazol-1-yl]propyl]piperidin-4-ol has a molecular weight of 275.36 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(1H-imidazol-5-yl)imidazol-1-yl]propyl]piperidin-4-ol is sourced from PubChem (CID 56869519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).