[(3R)-3-(3-phenylpropyl)-1-(6-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanol

C22H31N3O — CID 95197853

IUPAC[(3R)-3-(3-phenylpropyl)-1-(6-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanol
SMILESCC(C)c1cc(N2CCC[C@](CO)(CCCc3ccccc3)C2)ncn1
InChIInChI=1S/C22H31N3O/c1-18(2)20-14-21(24-17-23-20)25-13-7-12-22(15-25,16-26)11-6-10-19-8-4-3-5-9-19/h3-5,8-9,14,17-18,26H,6-7,10-13,15-16H2,1-2H3/t22-/m1/s1
InChIKeySTRSXNKMFGHYMY-JOCHJYFZSA-N
MW353.51 g/mol
LogP4.20
Rot. Bonds7

About [(3R)-3-(3-phenylpropyl)-1-(6-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanol

[(3R)-3-(3-phenylpropyl)-1-(6-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanol (PubChem CID 95197853) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is [(3R)-3-(3-phenylpropyl)-1-(6-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-3-(3-phenylpropyl)-1-(6-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanol
PubChem CID95197853
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC Name[(3R)-3-(3-phenylpropyl)-1-(6-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanol
SMILESCC(C)c1cc(N2CCC[C@](CO)(CCCc3ccccc3)C2)ncn1
InChIInChI=1S/C22H31N3O/c1-18(2)20-14-21(24-17-23-20)25-13-7-12-22(15-25,16-26)11-6-10-19-8-4-3-5-9-19/h3-5,8-9,14,17-18,26H,6-7,10-13,15-16H2,1-2H3/t22-/m1/s1
InChIKeySTRSXNKMFGHYMY-JOCHJYFZSA-N
XLogP4.20
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(3-phenylpropyl)-1-(6-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanol?
The IUPAC name of [(3R)-3-(3-phenylpropyl)-1-(6-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanol (CID 95197853) is [(3R)-3-(3-phenylpropyl)-1-(6-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanol.
What is the SMILES notation for [(3R)-3-(3-phenylpropyl)-1-(6-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanol?
The canonical SMILES for [(3R)-3-(3-phenylpropyl)-1-(6-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanol is CC(C)c1cc(N2CCC[C@](CO)(CCCc3ccccc3)C2)ncn1.
What is the InChIKey of [(3R)-3-(3-phenylpropyl)-1-(6-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanol?
The InChIKey is STRSXNKMFGHYMY-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H31N3O/c1-18(2)20-14-21(24-17-23-20)25-13-7-12-22(15-25,16-26)11-6-10-19-8-4-3-5-9-19/h3-5,8-9,14,17-18,26H,6-7,10-13,15-16H2,1-2H3/t22-/m1/s1.
What are the key properties of [(3R)-3-(3-phenylpropyl)-1-(6-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanol?
[(3R)-3-(3-phenylpropyl)-1-(6-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanol has a molecular weight of 353.51 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(3-phenylpropyl)-1-(6-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanol is sourced from PubChem (CID 95197853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).