1-[3-(pyrimidin-2-ylamino)propyl]piperidin-4-ol

C12H20N4O — CID 72897179

IUPAC1-[3-(pyrimidin-2-ylamino)propyl]piperidin-4-ol
SMILESOC1CCN(CCCNc2ncccn2)CC1
InChIInChI=1S/C12H20N4O/c17-11-3-9-16(10-4-11)8-2-7-15-12-13-5-1-6-14-12/h1,5-6,11,17H,2-4,7-10H2,(H,13,14,15)
InChIKeyORCMSWYVLHUWTE-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.74
Rot. Bonds5

About 1-[3-(pyrimidin-2-ylamino)propyl]piperidin-4-ol

1-[3-(pyrimidin-2-ylamino)propyl]piperidin-4-ol (PubChem CID 72897179) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-[3-(pyrimidin-2-ylamino)propyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[3-(pyrimidin-2-ylamino)propyl]piperidin-4-ol
PubChem CID72897179
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-[3-(pyrimidin-2-ylamino)propyl]piperidin-4-ol
SMILESOC1CCN(CCCNc2ncccn2)CC1
InChIInChI=1S/C12H20N4O/c17-11-3-9-16(10-4-11)8-2-7-15-12-13-5-1-6-14-12/h1,5-6,11,17H,2-4,7-10H2,(H,13,14,15)
InChIKeyORCMSWYVLHUWTE-UHFFFAOYSA-N
XLogP0.74
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(pyrimidin-2-ylamino)propyl]piperidin-4-ol?
The IUPAC name of 1-[3-(pyrimidin-2-ylamino)propyl]piperidin-4-ol (CID 72897179) is 1-[3-(pyrimidin-2-ylamino)propyl]piperidin-4-ol.
What is the SMILES notation for 1-[3-(pyrimidin-2-ylamino)propyl]piperidin-4-ol?
The canonical SMILES for 1-[3-(pyrimidin-2-ylamino)propyl]piperidin-4-ol is OC1CCN(CCCNc2ncccn2)CC1.
What is the InChIKey of 1-[3-(pyrimidin-2-ylamino)propyl]piperidin-4-ol?
The InChIKey is ORCMSWYVLHUWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c17-11-3-9-16(10-4-11)8-2-7-15-12-13-5-1-6-14-12/h1,5-6,11,17H,2-4,7-10H2,(H,13,14,15).
What are the key properties of 1-[3-(pyrimidin-2-ylamino)propyl]piperidin-4-ol?
1-[3-(pyrimidin-2-ylamino)propyl]piperidin-4-ol has a molecular weight of 236.32 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(pyrimidin-2-ylamino)propyl]piperidin-4-ol is sourced from PubChem (CID 72897179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).