(3R,4R)-3-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]-4-(oxan-4-yl)piperidin-4-ol

C17H29N3O2 — CID 70763211

IUPAC(3R,4R)-3-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]-4-(oxan-4-yl)piperidin-4-ol
SMILESC[C@@H]1CN(CCc2nccn2C)CC[C@@]1(O)C1CCOCC1
InChIInChI=1S/C17H29N3O2/c1-14-13-20(8-3-16-18-7-10-19(16)2)9-6-17(14,21)15-4-11-22-12-5-15/h7,10,14-15,21H,3-6,8-9,11-13H2,1-2H3/t14-,17+/m1/s1
InChIKeyLZARHBYBJMFHSD-PBHICJAKSA-N
MW307.44 g/mol
LogP1.46
Rot. Bonds4

About (3R,4R)-3-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]-4-(oxan-4-yl)piperidin-4-ol

(3R,4R)-3-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]-4-(oxan-4-yl)piperidin-4-ol (PubChem CID 70763211) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is (3R,4R)-3-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]-4-(oxan-4-yl)piperidin-4-ol.

Molecular Properties

Compound Name(3R,4R)-3-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]-4-(oxan-4-yl)piperidin-4-ol
PubChem CID70763211
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name(3R,4R)-3-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]-4-(oxan-4-yl)piperidin-4-ol
SMILESC[C@@H]1CN(CCc2nccn2C)CC[C@@]1(O)C1CCOCC1
InChIInChI=1S/C17H29N3O2/c1-14-13-20(8-3-16-18-7-10-19(16)2)9-6-17(14,21)15-4-11-22-12-5-15/h7,10,14-15,21H,3-6,8-9,11-13H2,1-2H3/t14-,17+/m1/s1
InChIKeyLZARHBYBJMFHSD-PBHICJAKSA-N
XLogP1.46
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]-4-(oxan-4-yl)piperidin-4-ol?
The IUPAC name of (3R,4R)-3-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]-4-(oxan-4-yl)piperidin-4-ol (CID 70763211) is (3R,4R)-3-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]-4-(oxan-4-yl)piperidin-4-ol.
What is the SMILES notation for (3R,4R)-3-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]-4-(oxan-4-yl)piperidin-4-ol?
The canonical SMILES for (3R,4R)-3-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]-4-(oxan-4-yl)piperidin-4-ol is C[C@@H]1CN(CCc2nccn2C)CC[C@@]1(O)C1CCOCC1.
What is the InChIKey of (3R,4R)-3-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]-4-(oxan-4-yl)piperidin-4-ol?
The InChIKey is LZARHBYBJMFHSD-PBHICJAKSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-14-13-20(8-3-16-18-7-10-19(16)2)9-6-17(14,21)15-4-11-22-12-5-15/h7,10,14-15,21H,3-6,8-9,11-13H2,1-2H3/t14-,17+/m1/s1.
What are the key properties of (3R,4R)-3-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]-4-(oxan-4-yl)piperidin-4-ol?
(3R,4R)-3-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]-4-(oxan-4-yl)piperidin-4-ol has a molecular weight of 307.44 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]-4-(oxan-4-yl)piperidin-4-ol is sourced from PubChem (CID 70763211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).