(3S,4R)-1-(1H-imidazol-2-ylmethyl)-4-(3-methylthiophen-2-yl)piperidin-3-ol

C14H19N3OS — CID 50971751

IUPAC(3S,4R)-1-(1H-imidazol-2-ylmethyl)-4-(3-methylthiophen-2-yl)piperidin-3-ol
SMILESCc1ccsc1[C@@H]1CCN(Cc2ncc[nH]2)C[C@H]1O
InChIInChI=1S/C14H19N3OS/c1-10-3-7-19-14(10)11-2-6-17(8-12(11)18)9-13-15-4-5-16-13/h3-5,7,11-12,18H,2,6,8-9H2,1H3,(H,15,16)/t11-,12-/m1/s1
InChIKeyFYOFPPNOMQMHEW-VXGBXAGGSA-N
MW277.39 g/mol
LogP2.13
Rot. Bonds3

About (3S,4R)-1-(1H-imidazol-2-ylmethyl)-4-(3-methylthiophen-2-yl)piperidin-3-ol

(3S,4R)-1-(1H-imidazol-2-ylmethyl)-4-(3-methylthiophen-2-yl)piperidin-3-ol (PubChem CID 50971751) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is (3S,4R)-1-(1H-imidazol-2-ylmethyl)-4-(3-methylthiophen-2-yl)piperidin-3-ol.

Molecular Properties

Compound Name(3S,4R)-1-(1H-imidazol-2-ylmethyl)-4-(3-methylthiophen-2-yl)piperidin-3-ol
PubChem CID50971751
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name(3S,4R)-1-(1H-imidazol-2-ylmethyl)-4-(3-methylthiophen-2-yl)piperidin-3-ol
SMILESCc1ccsc1[C@@H]1CCN(Cc2ncc[nH]2)C[C@H]1O
InChIInChI=1S/C14H19N3OS/c1-10-3-7-19-14(10)11-2-6-17(8-12(11)18)9-13-15-4-5-16-13/h3-5,7,11-12,18H,2,6,8-9H2,1H3,(H,15,16)/t11-,12-/m1/s1
InChIKeyFYOFPPNOMQMHEW-VXGBXAGGSA-N
XLogP2.13
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-(1H-imidazol-2-ylmethyl)-4-(3-methylthiophen-2-yl)piperidin-3-ol?
The IUPAC name of (3S,4R)-1-(1H-imidazol-2-ylmethyl)-4-(3-methylthiophen-2-yl)piperidin-3-ol (CID 50971751) is (3S,4R)-1-(1H-imidazol-2-ylmethyl)-4-(3-methylthiophen-2-yl)piperidin-3-ol.
What is the SMILES notation for (3S,4R)-1-(1H-imidazol-2-ylmethyl)-4-(3-methylthiophen-2-yl)piperidin-3-ol?
The canonical SMILES for (3S,4R)-1-(1H-imidazol-2-ylmethyl)-4-(3-methylthiophen-2-yl)piperidin-3-ol is Cc1ccsc1[C@@H]1CCN(Cc2ncc[nH]2)C[C@H]1O.
What is the InChIKey of (3S,4R)-1-(1H-imidazol-2-ylmethyl)-4-(3-methylthiophen-2-yl)piperidin-3-ol?
The InChIKey is FYOFPPNOMQMHEW-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-10-3-7-19-14(10)11-2-6-17(8-12(11)18)9-13-15-4-5-16-13/h3-5,7,11-12,18H,2,6,8-9H2,1H3,(H,15,16)/t11-,12-/m1/s1.
What are the key properties of (3S,4R)-1-(1H-imidazol-2-ylmethyl)-4-(3-methylthiophen-2-yl)piperidin-3-ol?
(3S,4R)-1-(1H-imidazol-2-ylmethyl)-4-(3-methylthiophen-2-yl)piperidin-3-ol has a molecular weight of 277.39 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-(1H-imidazol-2-ylmethyl)-4-(3-methylthiophen-2-yl)piperidin-3-ol is sourced from PubChem (CID 50971751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).