1-[3-[(5-ethylpyrimidin-2-yl)amino]propyl]piperidin-4-ol

C14H24N4O — CID 72927093

IUPAC1-[3-[(5-ethylpyrimidin-2-yl)amino]propyl]piperidin-4-ol
SMILESCCc1cnc(NCCCN2CCC(O)CC2)nc1
InChIInChI=1S/C14H24N4O/c1-2-12-10-16-14(17-11-12)15-6-3-7-18-8-4-13(19)5-9-18/h10-11,13,19H,2-9H2,1H3,(H,15,16,17)
InChIKeyATAFSPOYTMOENH-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.30
Rot. Bonds6

About 1-[3-[(5-ethylpyrimidin-2-yl)amino]propyl]piperidin-4-ol

1-[3-[(5-ethylpyrimidin-2-yl)amino]propyl]piperidin-4-ol (PubChem CID 72927093) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[3-[(5-ethylpyrimidin-2-yl)amino]propyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[3-[(5-ethylpyrimidin-2-yl)amino]propyl]piperidin-4-ol
PubChem CID72927093
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name1-[3-[(5-ethylpyrimidin-2-yl)amino]propyl]piperidin-4-ol
SMILESCCc1cnc(NCCCN2CCC(O)CC2)nc1
InChIInChI=1S/C14H24N4O/c1-2-12-10-16-14(17-11-12)15-6-3-7-18-8-4-13(19)5-9-18/h10-11,13,19H,2-9H2,1H3,(H,15,16,17)
InChIKeyATAFSPOYTMOENH-UHFFFAOYSA-N
XLogP1.30
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.30
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-[(5-ethylpyrimidin-2-yl)amino]propyl]piperidin-4-ol?
The IUPAC name of 1-[3-[(5-ethylpyrimidin-2-yl)amino]propyl]piperidin-4-ol (CID 72927093) is 1-[3-[(5-ethylpyrimidin-2-yl)amino]propyl]piperidin-4-ol.
What is the SMILES notation for 1-[3-[(5-ethylpyrimidin-2-yl)amino]propyl]piperidin-4-ol?
The canonical SMILES for 1-[3-[(5-ethylpyrimidin-2-yl)amino]propyl]piperidin-4-ol is CCc1cnc(NCCCN2CCC(O)CC2)nc1.
What is the InChIKey of 1-[3-[(5-ethylpyrimidin-2-yl)amino]propyl]piperidin-4-ol?
The InChIKey is ATAFSPOYTMOENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-2-12-10-16-14(17-11-12)15-6-3-7-18-8-4-13(19)5-9-18/h10-11,13,19H,2-9H2,1H3,(H,15,16,17).
What are the key properties of 1-[3-[(5-ethylpyrimidin-2-yl)amino]propyl]piperidin-4-ol?
1-[3-[(5-ethylpyrimidin-2-yl)amino]propyl]piperidin-4-ol has a molecular weight of 264.37 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(5-ethylpyrimidin-2-yl)amino]propyl]piperidin-4-ol is sourced from PubChem (CID 72927093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).