4-[(3R)-1-[(1R)-1-pyrimidin-2-ylethyl]piperidin-3-yl]phenol

C17H21N3O — CID 171392456

IUPAC4-[(3R)-1-[(1R)-1-pyrimidin-2-ylethyl]piperidin-3-yl]phenol
SMILESC[C@H](c1ncccn1)N1CCC[C@H](c2ccc(O)cc2)C1
InChIInChI=1S/C17H21N3O/c1-13(17-18-9-3-10-19-17)20-11-2-4-15(12-20)14-5-7-16(21)8-6-14/h3,5-10,13,15,21H,2,4,11-12H2,1H3/t13-,15+/m1/s1
InChIKeyJDCMEPNJYDYSCB-HIFRSBDPSA-N
MW283.38 g/mol
LogP3.12
Rot. Bonds3

About 4-[(3R)-1-[(1R)-1-pyrimidin-2-ylethyl]piperidin-3-yl]phenol

4-[(3R)-1-[(1R)-1-pyrimidin-2-ylethyl]piperidin-3-yl]phenol (PubChem CID 171392456) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-[(3R)-1-[(1R)-1-pyrimidin-2-ylethyl]piperidin-3-yl]phenol.

Molecular Properties

Compound Name4-[(3R)-1-[(1R)-1-pyrimidin-2-ylethyl]piperidin-3-yl]phenol
PubChem CID171392456
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name4-[(3R)-1-[(1R)-1-pyrimidin-2-ylethyl]piperidin-3-yl]phenol
SMILESC[C@H](c1ncccn1)N1CCC[C@H](c2ccc(O)cc2)C1
InChIInChI=1S/C17H21N3O/c1-13(17-18-9-3-10-19-17)20-11-2-4-15(12-20)14-5-7-16(21)8-6-14/h3,5-10,13,15,21H,2,4,11-12H2,1H3/t13-,15+/m1/s1
InChIKeyJDCMEPNJYDYSCB-HIFRSBDPSA-N
XLogP3.12
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-1-[(1R)-1-pyrimidin-2-ylethyl]piperidin-3-yl]phenol?
The IUPAC name of 4-[(3R)-1-[(1R)-1-pyrimidin-2-ylethyl]piperidin-3-yl]phenol (CID 171392456) is 4-[(3R)-1-[(1R)-1-pyrimidin-2-ylethyl]piperidin-3-yl]phenol.
What is the SMILES notation for 4-[(3R)-1-[(1R)-1-pyrimidin-2-ylethyl]piperidin-3-yl]phenol?
The canonical SMILES for 4-[(3R)-1-[(1R)-1-pyrimidin-2-ylethyl]piperidin-3-yl]phenol is C[C@H](c1ncccn1)N1CCC[C@H](c2ccc(O)cc2)C1.
What is the InChIKey of 4-[(3R)-1-[(1R)-1-pyrimidin-2-ylethyl]piperidin-3-yl]phenol?
The InChIKey is JDCMEPNJYDYSCB-HIFRSBDPSA-N. The full InChI is InChI=1S/C17H21N3O/c1-13(17-18-9-3-10-19-17)20-11-2-4-15(12-20)14-5-7-16(21)8-6-14/h3,5-10,13,15,21H,2,4,11-12H2,1H3/t13-,15+/m1/s1.
What are the key properties of 4-[(3R)-1-[(1R)-1-pyrimidin-2-ylethyl]piperidin-3-yl]phenol?
4-[(3R)-1-[(1R)-1-pyrimidin-2-ylethyl]piperidin-3-yl]phenol has a molecular weight of 283.38 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-1-[(1R)-1-pyrimidin-2-ylethyl]piperidin-3-yl]phenol is sourced from PubChem (CID 171392456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).