1-[5-(6-amino-4-cyclopropyl-2-pyridinyl)-3-pyridinyl]piperidin-4-ol

C18H22N4O — CID 141335662

IUPAC1-[5-(6-amino-4-cyclopropyl-2-pyridinyl)-3-pyridinyl]piperidin-4-ol
SMILESNc1cc(C2CC2)cc(-c2cncc(N3CCC(O)CC3)c2)n1
InChIInChI=1S/C18H22N4O/c19-18-9-13(12-1-2-12)8-17(21-18)14-7-15(11-20-10-14)22-5-3-16(23)4-6-22/h7-12,16,23H,1-6H2,(H2,19,21)
InChIKeyPGDCJOVOSMDVMH-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.56
Rot. Bonds3

About 1-[5-(6-amino-4-cyclopropyl-2-pyridinyl)-3-pyridinyl]piperidin-4-ol

1-[5-(6-amino-4-cyclopropyl-2-pyridinyl)-3-pyridinyl]piperidin-4-ol (PubChem CID 141335662) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-[5-(6-amino-4-cyclopropyl-2-pyridinyl)-3-pyridinyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[5-(6-amino-4-cyclopropyl-2-pyridinyl)-3-pyridinyl]piperidin-4-ol
PubChem CID141335662
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name1-[5-(6-amino-4-cyclopropyl-2-pyridinyl)-3-pyridinyl]piperidin-4-ol
SMILESNc1cc(C2CC2)cc(-c2cncc(N3CCC(O)CC3)c2)n1
InChIInChI=1S/C18H22N4O/c19-18-9-13(12-1-2-12)8-17(21-18)14-7-15(11-20-10-14)22-5-3-16(23)4-6-22/h7-12,16,23H,1-6H2,(H2,19,21)
InChIKeyPGDCJOVOSMDVMH-UHFFFAOYSA-N
XLogP2.56
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(6-amino-4-cyclopropyl-2-pyridinyl)-3-pyridinyl]piperidin-4-ol?
The IUPAC name of 1-[5-(6-amino-4-cyclopropyl-2-pyridinyl)-3-pyridinyl]piperidin-4-ol (CID 141335662) is 1-[5-(6-amino-4-cyclopropyl-2-pyridinyl)-3-pyridinyl]piperidin-4-ol.
What is the SMILES notation for 1-[5-(6-amino-4-cyclopropyl-2-pyridinyl)-3-pyridinyl]piperidin-4-ol?
The canonical SMILES for 1-[5-(6-amino-4-cyclopropyl-2-pyridinyl)-3-pyridinyl]piperidin-4-ol is Nc1cc(C2CC2)cc(-c2cncc(N3CCC(O)CC3)c2)n1.
What is the InChIKey of 1-[5-(6-amino-4-cyclopropyl-2-pyridinyl)-3-pyridinyl]piperidin-4-ol?
The InChIKey is PGDCJOVOSMDVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c19-18-9-13(12-1-2-12)8-17(21-18)14-7-15(11-20-10-14)22-5-3-16(23)4-6-22/h7-12,16,23H,1-6H2,(H2,19,21).
What are the key properties of 1-[5-(6-amino-4-cyclopropyl-2-pyridinyl)-3-pyridinyl]piperidin-4-ol?
1-[5-(6-amino-4-cyclopropyl-2-pyridinyl)-3-pyridinyl]piperidin-4-ol has a molecular weight of 310.40 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(6-amino-4-cyclopropyl-2-pyridinyl)-3-pyridinyl]piperidin-4-ol is sourced from PubChem (CID 141335662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).