1-[3-[1-(3-methylpyrazin-2-yl)ethylamino]propyl]piperidin-4-ol

C15H26N4O — CID 136534328

IUPAC1-[3-[1-(3-methylpyrazin-2-yl)ethylamino]propyl]piperidin-4-ol
SMILESCc1nccnc1C(C)NCCCN1CCC(O)CC1
InChIInChI=1S/C15H26N4O/c1-12(15-13(2)17-7-8-18-15)16-6-3-9-19-10-4-14(20)5-11-19/h7-8,12,14,16,20H,3-6,9-11H2,1-2H3
InChIKeyKOUWCLJBQYOMFZ-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.28
Rot. Bonds6

About 1-[3-[1-(3-methylpyrazin-2-yl)ethylamino]propyl]piperidin-4-ol

1-[3-[1-(3-methylpyrazin-2-yl)ethylamino]propyl]piperidin-4-ol (PubChem CID 136534328) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[3-[1-(3-methylpyrazin-2-yl)ethylamino]propyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[3-[1-(3-methylpyrazin-2-yl)ethylamino]propyl]piperidin-4-ol
PubChem CID136534328
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name1-[3-[1-(3-methylpyrazin-2-yl)ethylamino]propyl]piperidin-4-ol
SMILESCc1nccnc1C(C)NCCCN1CCC(O)CC1
InChIInChI=1S/C15H26N4O/c1-12(15-13(2)17-7-8-18-15)16-6-3-9-19-10-4-14(20)5-11-19/h7-8,12,14,16,20H,3-6,9-11H2,1-2H3
InChIKeyKOUWCLJBQYOMFZ-UHFFFAOYSA-N
XLogP1.28
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.28
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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Related Compounds

5-[1-(3-methylpyrazin-2-yl)ethylamino]pentan-1-ol
CID 107303156
N-[(2-methylcyclohexyl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine
CID 102612549
N-[2-(1-methylimidazol-2-yl)ethyl]-1-(3-methylpyrazin-2-yl)ethanamine
CID 102612667
1-[3-[[(1S)-1-(5-chloro-1-benzofuran-2-yl)ethyl]amino]propyl]piperidin-4-ol
CID 97336129
N-[1-(3-methylpyrazin-2-yl)ethyl]-2-pyrrolidin-1-ylpropan-1-amine
CID 114080351
3-[1-(3-methylpyrazin-2-yl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 102612475
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 111539069
[1-[[1-(3-methylpyrazin-2-yl)ethylamino]methyl]cyclopropyl]methanol
CID 102612886
2-methyl-N-[1-(3-methylpyrazin-2-yl)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 102612483
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenoxy)propanamide
CID 111429477
N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methylpentanamide
CID 111429541
3,3,3-trifluoro-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine
CID 102612905

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(3-methylpyrazin-2-yl)ethylamino]propyl]piperidin-4-ol?
The IUPAC name of 1-[3-[1-(3-methylpyrazin-2-yl)ethylamino]propyl]piperidin-4-ol (CID 136534328) is 1-[3-[1-(3-methylpyrazin-2-yl)ethylamino]propyl]piperidin-4-ol.
What is the SMILES notation for 1-[3-[1-(3-methylpyrazin-2-yl)ethylamino]propyl]piperidin-4-ol?
The canonical SMILES for 1-[3-[1-(3-methylpyrazin-2-yl)ethylamino]propyl]piperidin-4-ol is Cc1nccnc1C(C)NCCCN1CCC(O)CC1.
What is the InChIKey of 1-[3-[1-(3-methylpyrazin-2-yl)ethylamino]propyl]piperidin-4-ol?
The InChIKey is KOUWCLJBQYOMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-12(15-13(2)17-7-8-18-15)16-6-3-9-19-10-4-14(20)5-11-19/h7-8,12,14,16,20H,3-6,9-11H2,1-2H3.
What are the key properties of 1-[3-[1-(3-methylpyrazin-2-yl)ethylamino]propyl]piperidin-4-ol?
1-[3-[1-(3-methylpyrazin-2-yl)ethylamino]propyl]piperidin-4-ol has a molecular weight of 278.40 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(3-methylpyrazin-2-yl)ethylamino]propyl]piperidin-4-ol is sourced from PubChem (CID 136534328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).