(3R,4R)-4-(2-methoxyethyl)-3-methyl-1-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-ol

C18H30N4O2 — CID 72908787

IUPAC(3R,4R)-4-(2-methoxyethyl)-3-methyl-1-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-ol
SMILESCOCC[C@]1(O)CCN(Cc2cnc(N3CCCC3)nc2)C[C@H]1C
InChIInChI=1S/C18H30N4O2/c1-15-13-21(9-5-18(15,23)6-10-24-2)14-16-11-19-17(20-12-16)22-7-3-4-8-22/h11-12,15,23H,3-10,13-14H2,1-2H3/t15-,18-/m1/s1
InChIKeyIFEQWKOBRRTDTJ-CRAIPNDOSA-N
MW334.46 g/mol
LogP1.69
Rot. Bonds6

About (3R,4R)-4-(2-methoxyethyl)-3-methyl-1-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-ol

(3R,4R)-4-(2-methoxyethyl)-3-methyl-1-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-ol (PubChem CID 72908787) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is (3R,4R)-4-(2-methoxyethyl)-3-methyl-1-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name(3R,4R)-4-(2-methoxyethyl)-3-methyl-1-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-ol
PubChem CID72908787
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name(3R,4R)-4-(2-methoxyethyl)-3-methyl-1-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-ol
SMILESCOCC[C@]1(O)CCN(Cc2cnc(N3CCCC3)nc2)C[C@H]1C
InChIInChI=1S/C18H30N4O2/c1-15-13-21(9-5-18(15,23)6-10-24-2)14-16-11-19-17(20-12-16)22-7-3-4-8-22/h11-12,15,23H,3-10,13-14H2,1-2H3/t15-,18-/m1/s1
InChIKeyIFEQWKOBRRTDTJ-CRAIPNDOSA-N
XLogP1.69
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(2-methoxyethyl)-3-methyl-1-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-ol?
The IUPAC name of (3R,4R)-4-(2-methoxyethyl)-3-methyl-1-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-ol (CID 72908787) is (3R,4R)-4-(2-methoxyethyl)-3-methyl-1-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-ol.
What is the SMILES notation for (3R,4R)-4-(2-methoxyethyl)-3-methyl-1-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-ol?
The canonical SMILES for (3R,4R)-4-(2-methoxyethyl)-3-methyl-1-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-ol is COCC[C@]1(O)CCN(Cc2cnc(N3CCCC3)nc2)C[C@H]1C.
What is the InChIKey of (3R,4R)-4-(2-methoxyethyl)-3-methyl-1-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-ol?
The InChIKey is IFEQWKOBRRTDTJ-CRAIPNDOSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-15-13-21(9-5-18(15,23)6-10-24-2)14-16-11-19-17(20-12-16)22-7-3-4-8-22/h11-12,15,23H,3-10,13-14H2,1-2H3/t15-,18-/m1/s1.
What are the key properties of (3R,4R)-4-(2-methoxyethyl)-3-methyl-1-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-ol?
(3R,4R)-4-(2-methoxyethyl)-3-methyl-1-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-ol has a molecular weight of 334.46 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(2-methoxyethyl)-3-methyl-1-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 72908787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).