(3R,4R)-4-(hydroxymethyl)-1-[6-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-4-propylpiperidin-3-ol

C18H30N4O3 — CID 155910929

IUPAC(3R,4R)-4-(hydroxymethyl)-1-[6-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-4-propylpiperidin-3-ol
SMILESCCC[C@]1(CO)CCN(c2cc(N3CCC(O)CC3)ncn2)C[C@@H]1O
InChIInChI=1S/C18H30N4O3/c1-2-5-18(12-23)6-9-22(11-15(18)25)17-10-16(19-13-20-17)21-7-3-14(24)4-8-21/h10,13-15,23-25H,2-9,11-12H2,1H3/t15-,18+/m0/s1
InChIKeyGIBGUTSIMDFBSY-MAUKXSAKSA-N
MW350.46 g/mol
LogP0.79
Rot. Bonds5

About (3R,4R)-4-(hydroxymethyl)-1-[6-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-4-propylpiperidin-3-ol

(3R,4R)-4-(hydroxymethyl)-1-[6-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-4-propylpiperidin-3-ol (PubChem CID 155910929) has the molecular formula C18H30N4O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is (3R,4R)-4-(hydroxymethyl)-1-[6-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-4-propylpiperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-(hydroxymethyl)-1-[6-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-4-propylpiperidin-3-ol
PubChem CID155910929
Molecular FormulaC18H30N4O3
Molecular Weight350.46 g/mol
Exact Mass350.23
IUPAC Name(3R,4R)-4-(hydroxymethyl)-1-[6-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-4-propylpiperidin-3-ol
SMILESCCC[C@]1(CO)CCN(c2cc(N3CCC(O)CC3)ncn2)C[C@@H]1O
InChIInChI=1S/C18H30N4O3/c1-2-5-18(12-23)6-9-22(11-15(18)25)17-10-16(19-13-20-17)21-7-3-14(24)4-8-21/h10,13-15,23-25H,2-9,11-12H2,1H3/t15-,18+/m0/s1
InChIKeyGIBGUTSIMDFBSY-MAUKXSAKSA-N
XLogP0.79
TPSA92.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (3R,4R)-4-(hydroxymethyl)-1-[6-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-4-propylpiperidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(hydroxymethyl)-1-[6-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-4-propylpiperidin-3-ol?
The IUPAC name of (3R,4R)-4-(hydroxymethyl)-1-[6-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-4-propylpiperidin-3-ol (CID 155910929) is (3R,4R)-4-(hydroxymethyl)-1-[6-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-4-propylpiperidin-3-ol.
What is the SMILES notation for (3R,4R)-4-(hydroxymethyl)-1-[6-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-4-propylpiperidin-3-ol?
The canonical SMILES for (3R,4R)-4-(hydroxymethyl)-1-[6-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-4-propylpiperidin-3-ol is CCC[C@]1(CO)CCN(c2cc(N3CCC(O)CC3)ncn2)C[C@@H]1O.
What is the InChIKey of (3R,4R)-4-(hydroxymethyl)-1-[6-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-4-propylpiperidin-3-ol?
The InChIKey is GIBGUTSIMDFBSY-MAUKXSAKSA-N. The full InChI is InChI=1S/C18H30N4O3/c1-2-5-18(12-23)6-9-22(11-15(18)25)17-10-16(19-13-20-17)21-7-3-14(24)4-8-21/h10,13-15,23-25H,2-9,11-12H2,1H3/t15-,18+/m0/s1.
What are the key properties of (3R,4R)-4-(hydroxymethyl)-1-[6-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-4-propylpiperidin-3-ol?
(3R,4R)-4-(hydroxymethyl)-1-[6-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-4-propylpiperidin-3-ol has a molecular weight of 350.46 g/mol, XLogP of 0.79, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(hydroxymethyl)-1-[6-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-4-propylpiperidin-3-ol is sourced from PubChem (CID 155910929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).