(3R,4R)-4-(hydroxymethyl)-4-propyl-1-(5-propylpyrimidin-2-yl)piperidin-3-ol

C16H27N3O2 — CID 155911912

IUPAC(3R,4R)-4-(hydroxymethyl)-4-propyl-1-(5-propylpyrimidin-2-yl)piperidin-3-ol
SMILESCCCc1cnc(N2CC[C@@](CO)(CCC)[C@@H](O)C2)nc1
InChIInChI=1S/C16H27N3O2/c1-3-5-13-9-17-15(18-10-13)19-8-7-16(12-20,6-4-2)14(21)11-19/h9-10,14,20-21H,3-8,11-12H2,1-2H3/t14-,16+/m0/s1
InChIKeyWFGMUGITMBPJGL-GOEBONIOSA-N
MW293.41 g/mol
LogP1.78
Rot. Bonds6

About (3R,4R)-4-(hydroxymethyl)-4-propyl-1-(5-propylpyrimidin-2-yl)piperidin-3-ol

(3R,4R)-4-(hydroxymethyl)-4-propyl-1-(5-propylpyrimidin-2-yl)piperidin-3-ol (PubChem CID 155911912) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is (3R,4R)-4-(hydroxymethyl)-4-propyl-1-(5-propylpyrimidin-2-yl)piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-(hydroxymethyl)-4-propyl-1-(5-propylpyrimidin-2-yl)piperidin-3-ol
PubChem CID155911912
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name(3R,4R)-4-(hydroxymethyl)-4-propyl-1-(5-propylpyrimidin-2-yl)piperidin-3-ol
SMILESCCCc1cnc(N2CC[C@@](CO)(CCC)[C@@H](O)C2)nc1
InChIInChI=1S/C16H27N3O2/c1-3-5-13-9-17-15(18-10-13)19-8-7-16(12-20,6-4-2)14(21)11-19/h9-10,14,20-21H,3-8,11-12H2,1-2H3/t14-,16+/m0/s1
InChIKeyWFGMUGITMBPJGL-GOEBONIOSA-N
XLogP1.78
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(hydroxymethyl)-4-propyl-1-(5-propylpyrimidin-2-yl)piperidin-3-ol?
The IUPAC name of (3R,4R)-4-(hydroxymethyl)-4-propyl-1-(5-propylpyrimidin-2-yl)piperidin-3-ol (CID 155911912) is (3R,4R)-4-(hydroxymethyl)-4-propyl-1-(5-propylpyrimidin-2-yl)piperidin-3-ol.
What is the SMILES notation for (3R,4R)-4-(hydroxymethyl)-4-propyl-1-(5-propylpyrimidin-2-yl)piperidin-3-ol?
The canonical SMILES for (3R,4R)-4-(hydroxymethyl)-4-propyl-1-(5-propylpyrimidin-2-yl)piperidin-3-ol is CCCc1cnc(N2CC[C@@](CO)(CCC)[C@@H](O)C2)nc1.
What is the InChIKey of (3R,4R)-4-(hydroxymethyl)-4-propyl-1-(5-propylpyrimidin-2-yl)piperidin-3-ol?
The InChIKey is WFGMUGITMBPJGL-GOEBONIOSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-3-5-13-9-17-15(18-10-13)19-8-7-16(12-20,6-4-2)14(21)11-19/h9-10,14,20-21H,3-8,11-12H2,1-2H3/t14-,16+/m0/s1.
What are the key properties of (3R,4R)-4-(hydroxymethyl)-4-propyl-1-(5-propylpyrimidin-2-yl)piperidin-3-ol?
(3R,4R)-4-(hydroxymethyl)-4-propyl-1-(5-propylpyrimidin-2-yl)piperidin-3-ol has a molecular weight of 293.41 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(hydroxymethyl)-4-propyl-1-(5-propylpyrimidin-2-yl)piperidin-3-ol is sourced from PubChem (CID 155911912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).