4-(1H-imidazol-5-ylmethoxy)-1-[(3-methylthiophen-2-yl)methyl]piperidine

C15H21N3OS — CID 11426331

IUPAC4-(1H-imidazol-5-ylmethoxy)-1-[(3-methylthiophen-2-yl)methyl]piperidine
SMILESCc1ccsc1CN1CCC(OCc2cnc[nH]2)CC1
InChIInChI=1S/C15H21N3OS/c1-12-4-7-20-15(12)9-18-5-2-14(3-6-18)19-10-13-8-16-11-17-13/h4,7-8,11,14H,2-3,5-6,9-10H2,1H3,(H,16,17)
InChIKeyBQNJEQSRTJAUHJ-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.96
Rot. Bonds5

About 4-(1H-imidazol-5-ylmethoxy)-1-[(3-methylthiophen-2-yl)methyl]piperidine

4-(1H-imidazol-5-ylmethoxy)-1-[(3-methylthiophen-2-yl)methyl]piperidine (PubChem CID 11426331) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 4-(1H-imidazol-5-ylmethoxy)-1-[(3-methylthiophen-2-yl)methyl]piperidine.

Molecular Properties

Compound Name4-(1H-imidazol-5-ylmethoxy)-1-[(3-methylthiophen-2-yl)methyl]piperidine
PubChem CID11426331
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name4-(1H-imidazol-5-ylmethoxy)-1-[(3-methylthiophen-2-yl)methyl]piperidine
SMILESCc1ccsc1CN1CCC(OCc2cnc[nH]2)CC1
InChIInChI=1S/C15H21N3OS/c1-12-4-7-20-15(12)9-18-5-2-14(3-6-18)19-10-13-8-16-11-17-13/h4,7-8,11,14H,2-3,5-6,9-10H2,1H3,(H,16,17)
InChIKeyBQNJEQSRTJAUHJ-UHFFFAOYSA-N
XLogP2.96
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-5-ylmethoxy)-1-[(3-methylthiophen-2-yl)methyl]piperidine?
The IUPAC name of 4-(1H-imidazol-5-ylmethoxy)-1-[(3-methylthiophen-2-yl)methyl]piperidine (CID 11426331) is 4-(1H-imidazol-5-ylmethoxy)-1-[(3-methylthiophen-2-yl)methyl]piperidine.
What is the SMILES notation for 4-(1H-imidazol-5-ylmethoxy)-1-[(3-methylthiophen-2-yl)methyl]piperidine?
The canonical SMILES for 4-(1H-imidazol-5-ylmethoxy)-1-[(3-methylthiophen-2-yl)methyl]piperidine is Cc1ccsc1CN1CCC(OCc2cnc[nH]2)CC1.
What is the InChIKey of 4-(1H-imidazol-5-ylmethoxy)-1-[(3-methylthiophen-2-yl)methyl]piperidine?
The InChIKey is BQNJEQSRTJAUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-12-4-7-20-15(12)9-18-5-2-14(3-6-18)19-10-13-8-16-11-17-13/h4,7-8,11,14H,2-3,5-6,9-10H2,1H3,(H,16,17).
What are the key properties of 4-(1H-imidazol-5-ylmethoxy)-1-[(3-methylthiophen-2-yl)methyl]piperidine?
4-(1H-imidazol-5-ylmethoxy)-1-[(3-methylthiophen-2-yl)methyl]piperidine has a molecular weight of 291.42 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-5-ylmethoxy)-1-[(3-methylthiophen-2-yl)methyl]piperidine is sourced from PubChem (CID 11426331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).