(3S)-1-[1-(3-imidazol-1-ylpropyl)piperidin-4-yl]piperidin-3-ol

C16H28N4O — CID 171359510

IUPAC(3S)-1-[1-(3-imidazol-1-ylpropyl)piperidin-4-yl]piperidin-3-ol
SMILESO[C@H]1CCCN(C2CCN(CCCn3ccnc3)CC2)C1
InChIInChI=1S/C16H28N4O/c21-16-3-1-9-20(13-16)15-4-10-18(11-5-15)7-2-8-19-12-6-17-14-19/h6,12,14-16,21H,1-5,7-11,13H2/t16-/m0/s1
InChIKeyFHVOBUZMMVUBJB-INIZCTEOSA-N
MW292.43 g/mol
LogP1.19
Rot. Bonds5

About (3S)-1-[1-(3-imidazol-1-ylpropyl)piperidin-4-yl]piperidin-3-ol

(3S)-1-[1-(3-imidazol-1-ylpropyl)piperidin-4-yl]piperidin-3-ol (PubChem CID 171359510) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is (3S)-1-[1-(3-imidazol-1-ylpropyl)piperidin-4-yl]piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[1-(3-imidazol-1-ylpropyl)piperidin-4-yl]piperidin-3-ol
PubChem CID171359510
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name(3S)-1-[1-(3-imidazol-1-ylpropyl)piperidin-4-yl]piperidin-3-ol
SMILESO[C@H]1CCCN(C2CCN(CCCn3ccnc3)CC2)C1
InChIInChI=1S/C16H28N4O/c21-16-3-1-9-20(13-16)15-4-10-18(11-5-15)7-2-8-19-12-6-17-14-19/h6,12,14-16,21H,1-5,7-11,13H2/t16-/m0/s1
InChIKeyFHVOBUZMMVUBJB-INIZCTEOSA-N
XLogP1.19
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[1-(3-imidazol-1-ylpropyl)piperidin-4-yl]piperidin-3-ol?
The IUPAC name of (3S)-1-[1-(3-imidazol-1-ylpropyl)piperidin-4-yl]piperidin-3-ol (CID 171359510) is (3S)-1-[1-(3-imidazol-1-ylpropyl)piperidin-4-yl]piperidin-3-ol.
What is the SMILES notation for (3S)-1-[1-(3-imidazol-1-ylpropyl)piperidin-4-yl]piperidin-3-ol?
The canonical SMILES for (3S)-1-[1-(3-imidazol-1-ylpropyl)piperidin-4-yl]piperidin-3-ol is O[C@H]1CCCN(C2CCN(CCCn3ccnc3)CC2)C1.
What is the InChIKey of (3S)-1-[1-(3-imidazol-1-ylpropyl)piperidin-4-yl]piperidin-3-ol?
The InChIKey is FHVOBUZMMVUBJB-INIZCTEOSA-N. The full InChI is InChI=1S/C16H28N4O/c21-16-3-1-9-20(13-16)15-4-10-18(11-5-15)7-2-8-19-12-6-17-14-19/h6,12,14-16,21H,1-5,7-11,13H2/t16-/m0/s1.
What are the key properties of (3S)-1-[1-(3-imidazol-1-ylpropyl)piperidin-4-yl]piperidin-3-ol?
(3S)-1-[1-(3-imidazol-1-ylpropyl)piperidin-4-yl]piperidin-3-ol has a molecular weight of 292.43 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[1-(3-imidazol-1-ylpropyl)piperidin-4-yl]piperidin-3-ol is sourced from PubChem (CID 171359510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).