[1-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]piperidin-2-yl]methanol

C16H23N3OS — CID 56879472

IUPAC[1-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]piperidin-2-yl]methanol
SMILESCc1ccsc1-c1nccn1CCN1CCCCC1CO
InChIInChI=1S/C16H23N3OS/c1-13-5-11-21-15(13)16-17-6-8-19(16)10-9-18-7-3-2-4-14(18)12-20/h5-6,8,11,14,20H,2-4,7,9-10,12H2,1H3
InChIKeyVPQGAUDZQZQZRM-UHFFFAOYSA-N
MW305.45 g/mol
LogP2.77
Rot. Bonds5

About [1-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]piperidin-2-yl]methanol

[1-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]piperidin-2-yl]methanol (PubChem CID 56879472) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is [1-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]piperidin-2-yl]methanol
PubChem CID56879472
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name[1-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]piperidin-2-yl]methanol
SMILESCc1ccsc1-c1nccn1CCN1CCCCC1CO
InChIInChI=1S/C16H23N3OS/c1-13-5-11-21-15(13)16-17-6-8-19(16)10-9-18-7-3-2-4-14(18)12-20/h5-6,8,11,14,20H,2-4,7,9-10,12H2,1H3
InChIKeyVPQGAUDZQZQZRM-UHFFFAOYSA-N
XLogP2.77
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]piperidin-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]piperidin-2-yl]methanol (CID 56879472) is [1-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]piperidin-2-yl]methanol is Cc1ccsc1-c1nccn1CCN1CCCCC1CO.
What is the InChIKey of [1-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]piperidin-2-yl]methanol?
The InChIKey is VPQGAUDZQZQZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-13-5-11-21-15(13)16-17-6-8-19(16)10-9-18-7-3-2-4-14(18)12-20/h5-6,8,11,14,20H,2-4,7,9-10,12H2,1H3.
What are the key properties of [1-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]piperidin-2-yl]methanol?
[1-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]piperidin-2-yl]methanol has a molecular weight of 305.45 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]piperidin-2-yl]methanol is sourced from PubChem (CID 56879472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).