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

C15H18N4O — CID 123614324

IUPAC1-[4-(pyrimidin-2-ylamino)phenyl]piperidin-4-ol
SMILESOC1CCN(c2ccc(Nc3ncccn3)cc2)CC1
InChIInChI=1S/C15H18N4O/c20-14-6-10-19(11-7-14)13-4-2-12(3-5-13)18-15-16-8-1-9-17-15/h1-5,8-9,14,20H,6-7,10-11H2,(H,16,17,18)
InChIKeyPCPVUMSABIVNPO-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.18
Rot. Bonds3

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

1-[4-(pyrimidin-2-ylamino)phenyl]piperidin-4-ol (PubChem CID 123614324) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 1-[4-(pyrimidin-2-ylamino)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[4-(pyrimidin-2-ylamino)phenyl]piperidin-4-ol
PubChem CID123614324
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name1-[4-(pyrimidin-2-ylamino)phenyl]piperidin-4-ol
SMILESOC1CCN(c2ccc(Nc3ncccn3)cc2)CC1
InChIInChI=1S/C15H18N4O/c20-14-6-10-19(11-7-14)13-4-2-12(3-5-13)18-15-16-8-1-9-17-15/h1-5,8-9,14,20H,6-7,10-11H2,(H,16,17,18)
InChIKeyPCPVUMSABIVNPO-UHFFFAOYSA-N
XLogP2.18
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(pyrimidin-2-ylamino)phenyl]piperidin-4-ol?
The IUPAC name of 1-[4-(pyrimidin-2-ylamino)phenyl]piperidin-4-ol (CID 123614324) is 1-[4-(pyrimidin-2-ylamino)phenyl]piperidin-4-ol.
What is the SMILES notation for 1-[4-(pyrimidin-2-ylamino)phenyl]piperidin-4-ol?
The canonical SMILES for 1-[4-(pyrimidin-2-ylamino)phenyl]piperidin-4-ol is OC1CCN(c2ccc(Nc3ncccn3)cc2)CC1.
What is the InChIKey of 1-[4-(pyrimidin-2-ylamino)phenyl]piperidin-4-ol?
The InChIKey is PCPVUMSABIVNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c20-14-6-10-19(11-7-14)13-4-2-12(3-5-13)18-15-16-8-1-9-17-15/h1-5,8-9,14,20H,6-7,10-11H2,(H,16,17,18).
What are the key properties of 1-[4-(pyrimidin-2-ylamino)phenyl]piperidin-4-ol?
1-[4-(pyrimidin-2-ylamino)phenyl]piperidin-4-ol has a molecular weight of 270.34 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(pyrimidin-2-ylamino)phenyl]piperidin-4-ol is sourced from PubChem (CID 123614324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).