[(3R,4R)-1-(4-methylpyrimidin-2-yl)-4-phenylpiperidin-3-yl]methanol

C17H21N3O — CID 126810365

IUPAC[(3R,4R)-1-(4-methylpyrimidin-2-yl)-4-phenylpiperidin-3-yl]methanol
SMILESCc1ccnc(N2CC[C@@H](c3ccccc3)[C@@H](CO)C2)n1
InChIInChI=1S/C17H21N3O/c1-13-7-9-18-17(19-13)20-10-8-16(15(11-20)12-21)14-5-3-2-4-6-14/h2-7,9,15-16,21H,8,10-12H2,1H3/t15-,16+/m1/s1
InChIKeyKMIVPIHNZXBBRN-CVEARBPZSA-N
MW283.38 g/mol
LogP2.39
Rot. Bonds3

About [(3R,4R)-1-(4-methylpyrimidin-2-yl)-4-phenylpiperidin-3-yl]methanol

[(3R,4R)-1-(4-methylpyrimidin-2-yl)-4-phenylpiperidin-3-yl]methanol (PubChem CID 126810365) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is [(3R,4R)-1-(4-methylpyrimidin-2-yl)-4-phenylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4R)-1-(4-methylpyrimidin-2-yl)-4-phenylpiperidin-3-yl]methanol
PubChem CID126810365
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name[(3R,4R)-1-(4-methylpyrimidin-2-yl)-4-phenylpiperidin-3-yl]methanol
SMILESCc1ccnc(N2CC[C@@H](c3ccccc3)[C@@H](CO)C2)n1
InChIInChI=1S/C17H21N3O/c1-13-7-9-18-17(19-13)20-10-8-16(15(11-20)12-21)14-5-3-2-4-6-14/h2-7,9,15-16,21H,8,10-12H2,1H3/t15-,16+/m1/s1
InChIKeyKMIVPIHNZXBBRN-CVEARBPZSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-1-(4-methylpyrimidin-2-yl)-4-phenylpiperidin-3-yl]methanol?
The IUPAC name of [(3R,4R)-1-(4-methylpyrimidin-2-yl)-4-phenylpiperidin-3-yl]methanol (CID 126810365) is [(3R,4R)-1-(4-methylpyrimidin-2-yl)-4-phenylpiperidin-3-yl]methanol.
What is the SMILES notation for [(3R,4R)-1-(4-methylpyrimidin-2-yl)-4-phenylpiperidin-3-yl]methanol?
The canonical SMILES for [(3R,4R)-1-(4-methylpyrimidin-2-yl)-4-phenylpiperidin-3-yl]methanol is Cc1ccnc(N2CC[C@@H](c3ccccc3)[C@@H](CO)C2)n1.
What is the InChIKey of [(3R,4R)-1-(4-methylpyrimidin-2-yl)-4-phenylpiperidin-3-yl]methanol?
The InChIKey is KMIVPIHNZXBBRN-CVEARBPZSA-N. The full InChI is InChI=1S/C17H21N3O/c1-13-7-9-18-17(19-13)20-10-8-16(15(11-20)12-21)14-5-3-2-4-6-14/h2-7,9,15-16,21H,8,10-12H2,1H3/t15-,16+/m1/s1.
What are the key properties of [(3R,4R)-1-(4-methylpyrimidin-2-yl)-4-phenylpiperidin-3-yl]methanol?
[(3R,4R)-1-(4-methylpyrimidin-2-yl)-4-phenylpiperidin-3-yl]methanol has a molecular weight of 283.38 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-1-(4-methylpyrimidin-2-yl)-4-phenylpiperidin-3-yl]methanol is sourced from PubChem (CID 126810365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).