[(2S,3S)-1-cyclopropyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methanol

C13H21N3O — CID 122155525

IUPAC[(2S,3S)-1-cyclopropyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methanol
SMILESCn1cncc1[C@@H]1[C@@H](CO)CCCN1C1CC1
InChIInChI=1S/C13H21N3O/c1-15-9-14-7-12(15)13-10(8-17)3-2-6-16(13)11-4-5-11/h7,9-11,13,17H,2-6,8H2,1H3/t10-,13+/m1/s1
InChIKeyNEXMBLHCCYTXQB-MFKMUULPSA-N
MW235.33 g/mol
LogP1.33
Rot. Bonds3

About [(2S,3S)-1-cyclopropyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methanol

[(2S,3S)-1-cyclopropyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methanol (PubChem CID 122155525) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is [(2S,3S)-1-cyclopropyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(2S,3S)-1-cyclopropyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methanol
PubChem CID122155525
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name[(2S,3S)-1-cyclopropyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methanol
SMILESCn1cncc1[C@@H]1[C@@H](CO)CCCN1C1CC1
InChIInChI=1S/C13H21N3O/c1-15-9-14-7-12(15)13-10(8-17)3-2-6-16(13)11-4-5-11/h7,9-11,13,17H,2-6,8H2,1H3/t10-,13+/m1/s1
InChIKeyNEXMBLHCCYTXQB-MFKMUULPSA-N
XLogP1.33
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-1-cyclopropyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methanol?
The IUPAC name of [(2S,3S)-1-cyclopropyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methanol (CID 122155525) is [(2S,3S)-1-cyclopropyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methanol.
What is the SMILES notation for [(2S,3S)-1-cyclopropyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methanol?
The canonical SMILES for [(2S,3S)-1-cyclopropyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methanol is Cn1cncc1[C@@H]1[C@@H](CO)CCCN1C1CC1.
What is the InChIKey of [(2S,3S)-1-cyclopropyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methanol?
The InChIKey is NEXMBLHCCYTXQB-MFKMUULPSA-N. The full InChI is InChI=1S/C13H21N3O/c1-15-9-14-7-12(15)13-10(8-17)3-2-6-16(13)11-4-5-11/h7,9-11,13,17H,2-6,8H2,1H3/t10-,13+/m1/s1.
What are the key properties of [(2S,3S)-1-cyclopropyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methanol?
[(2S,3S)-1-cyclopropyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methanol has a molecular weight of 235.33 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-1-cyclopropyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methanol is sourced from PubChem (CID 122155525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).