4-[(1R)-1-(4-phenyl-2H-pyrimidin-1-yl)ethyl]piperidin-4-ol

C17H23N3O — CID 175705617

IUPAC4-[(1R)-1-(4-phenyl-2H-pyrimidin-1-yl)ethyl]piperidin-4-ol
SMILESC[C@@H](N1C=CC(c2ccccc2)=NC1)C1(O)CCNCC1
InChIInChI=1S/C17H23N3O/c1-14(17(21)8-10-18-11-9-17)20-12-7-16(19-13-20)15-5-3-2-4-6-15/h2-7,12,14,18,21H,8-11,13H2,1H3/t14-/m1/s1
InChIKeyHNNSJJMFSFZDIZ-CQSZACIVSA-N
MW285.39 g/mol
LogP1.77
Rot. Bonds3

About 4-[(1R)-1-(4-phenyl-2H-pyrimidin-1-yl)ethyl]piperidin-4-ol

4-[(1R)-1-(4-phenyl-2H-pyrimidin-1-yl)ethyl]piperidin-4-ol (PubChem CID 175705617) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-[(1R)-1-(4-phenyl-2H-pyrimidin-1-yl)ethyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[(1R)-1-(4-phenyl-2H-pyrimidin-1-yl)ethyl]piperidin-4-ol
PubChem CID175705617
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name4-[(1R)-1-(4-phenyl-2H-pyrimidin-1-yl)ethyl]piperidin-4-ol
SMILESC[C@@H](N1C=CC(c2ccccc2)=NC1)C1(O)CCNCC1
InChIInChI=1S/C17H23N3O/c1-14(17(21)8-10-18-11-9-17)20-12-7-16(19-13-20)15-5-3-2-4-6-15/h2-7,12,14,18,21H,8-11,13H2,1H3/t14-/m1/s1
InChIKeyHNNSJJMFSFZDIZ-CQSZACIVSA-N
XLogP1.77
TPSA47.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-(4-phenyl-2H-pyrimidin-1-yl)ethyl]piperidin-4-ol?
The IUPAC name of 4-[(1R)-1-(4-phenyl-2H-pyrimidin-1-yl)ethyl]piperidin-4-ol (CID 175705617) is 4-[(1R)-1-(4-phenyl-2H-pyrimidin-1-yl)ethyl]piperidin-4-ol.
What is the SMILES notation for 4-[(1R)-1-(4-phenyl-2H-pyrimidin-1-yl)ethyl]piperidin-4-ol?
The canonical SMILES for 4-[(1R)-1-(4-phenyl-2H-pyrimidin-1-yl)ethyl]piperidin-4-ol is C[C@@H](N1C=CC(c2ccccc2)=NC1)C1(O)CCNCC1.
What is the InChIKey of 4-[(1R)-1-(4-phenyl-2H-pyrimidin-1-yl)ethyl]piperidin-4-ol?
The InChIKey is HNNSJJMFSFZDIZ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23N3O/c1-14(17(21)8-10-18-11-9-17)20-12-7-16(19-13-20)15-5-3-2-4-6-15/h2-7,12,14,18,21H,8-11,13H2,1H3/t14-/m1/s1.
What are the key properties of 4-[(1R)-1-(4-phenyl-2H-pyrimidin-1-yl)ethyl]piperidin-4-ol?
4-[(1R)-1-(4-phenyl-2H-pyrimidin-1-yl)ethyl]piperidin-4-ol has a molecular weight of 285.39 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-(4-phenyl-2H-pyrimidin-1-yl)ethyl]piperidin-4-ol is sourced from PubChem (CID 175705617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).