2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol

C15H23N3O — CID 58128598

IUPAC2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol
SMILESCc1cnc(N2CCC([C@H]3C[C@H]3CCO)CC2)nc1
InChIInChI=1S/C15H23N3O/c1-11-9-16-15(17-10-11)18-5-2-12(3-6-18)14-8-13(14)4-7-19/h9-10,12-14,19H,2-8H2,1H3/t13-,14-/m1/s1
InChIKeyIYMRBQMEOBVZHF-ZIAGYGMSSA-N
MW261.37 g/mol
LogP2.02
Rot. Bonds4

About 2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol

2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol (PubChem CID 58128598) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol
PubChem CID58128598
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol
SMILESCc1cnc(N2CCC([C@H]3C[C@H]3CCO)CC2)nc1
InChIInChI=1S/C15H23N3O/c1-11-9-16-15(17-10-11)18-5-2-12(3-6-18)14-8-13(14)4-7-19/h9-10,12-14,19H,2-8H2,1H3/t13-,14-/m1/s1
InChIKeyIYMRBQMEOBVZHF-ZIAGYGMSSA-N
XLogP2.02
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol?
The IUPAC name of 2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol (CID 58128598) is 2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol.
What is the SMILES notation for 2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol?
The canonical SMILES for 2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol is Cc1cnc(N2CCC([C@H]3C[C@H]3CCO)CC2)nc1.
What is the InChIKey of 2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol?
The InChIKey is IYMRBQMEOBVZHF-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11-9-16-15(17-10-11)18-5-2-12(3-6-18)14-8-13(14)4-7-19/h9-10,12-14,19H,2-8H2,1H3/t13-,14-/m1/s1.
What are the key properties of 2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol?
2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol has a molecular weight of 261.37 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R)-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol is sourced from PubChem (CID 58128598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).