3-[(1-methylimidazol-2-yl)methyl]-1-(thiophen-3-ylmethyl)piperidine

C15H21N3S — CID 86791653

IUPAC3-[(1-methylimidazol-2-yl)methyl]-1-(thiophen-3-ylmethyl)piperidine
SMILESCn1ccnc1CC1CCCN(Cc2ccsc2)C1
InChIInChI=1S/C15H21N3S/c1-17-7-5-16-15(17)9-13-3-2-6-18(10-13)11-14-4-8-19-12-14/h4-5,7-8,12-13H,2-3,6,9-11H2,1H3
InChIKeyBCKODEGBTNUOIX-UHFFFAOYSA-N
MW275.42 g/mol
LogP2.94
Rot. Bonds4

About 3-[(1-methylimidazol-2-yl)methyl]-1-(thiophen-3-ylmethyl)piperidine

3-[(1-methylimidazol-2-yl)methyl]-1-(thiophen-3-ylmethyl)piperidine (PubChem CID 86791653) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 3-[(1-methylimidazol-2-yl)methyl]-1-(thiophen-3-ylmethyl)piperidine.

Molecular Properties

Compound Name3-[(1-methylimidazol-2-yl)methyl]-1-(thiophen-3-ylmethyl)piperidine
PubChem CID86791653
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name3-[(1-methylimidazol-2-yl)methyl]-1-(thiophen-3-ylmethyl)piperidine
SMILESCn1ccnc1CC1CCCN(Cc2ccsc2)C1
InChIInChI=1S/C15H21N3S/c1-17-7-5-16-15(17)9-13-3-2-6-18(10-13)11-14-4-8-19-12-14/h4-5,7-8,12-13H,2-3,6,9-11H2,1H3
InChIKeyBCKODEGBTNUOIX-UHFFFAOYSA-N
XLogP2.94
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-methylimidazol-2-yl)methyl]-1-[(1-methylpyrrol-3-yl)methyl]piperidine
CID 154752270
4-[[(3R)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]thiadiazole
CID 99822145
1-(cyclobutylmethyl)-3-[(1-methylimidazol-2-yl)methyl]piperidine
CID 86771066
[5-[[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]furan-2-yl]methanol
CID 86791646
4-methyl-1-[[(3R)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]cyclohexan-1-ol
CID 97101326
1-methyl-3-[1-(thiophen-3-ylmethyl)piperidin-3-yl]pyrazolo[3,4-b]pyrazine
CID 110234045
2-[[(3S)-1-(thiophen-3-ylmethyl)piperidin-3-yl]methyl]-1H-benzimidazole
CID 95725288
(3R)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]-1-(thiophen-3-ylmethyl)piperidine
CID 124986594
1-[3-[(3S)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propyl]-4-propan-2-ylpiperazine
CID 124625021
2-methyl-6-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]methyl]pyridine
CID 127246408
5-fluoro-2-[[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]benzonitrile
CID 86771061
1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-3-[(1-methylimidazol-2-yl)methyl]piperidine
CID 86791637

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylimidazol-2-yl)methyl]-1-(thiophen-3-ylmethyl)piperidine?
The IUPAC name of 3-[(1-methylimidazol-2-yl)methyl]-1-(thiophen-3-ylmethyl)piperidine (CID 86791653) is 3-[(1-methylimidazol-2-yl)methyl]-1-(thiophen-3-ylmethyl)piperidine.
What is the SMILES notation for 3-[(1-methylimidazol-2-yl)methyl]-1-(thiophen-3-ylmethyl)piperidine?
The canonical SMILES for 3-[(1-methylimidazol-2-yl)methyl]-1-(thiophen-3-ylmethyl)piperidine is Cn1ccnc1CC1CCCN(Cc2ccsc2)C1.
What is the InChIKey of 3-[(1-methylimidazol-2-yl)methyl]-1-(thiophen-3-ylmethyl)piperidine?
The InChIKey is BCKODEGBTNUOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-17-7-5-16-15(17)9-13-3-2-6-18(10-13)11-14-4-8-19-12-14/h4-5,7-8,12-13H,2-3,6,9-11H2,1H3.
What are the key properties of 3-[(1-methylimidazol-2-yl)methyl]-1-(thiophen-3-ylmethyl)piperidine?
3-[(1-methylimidazol-2-yl)methyl]-1-(thiophen-3-ylmethyl)piperidine has a molecular weight of 275.42 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylimidazol-2-yl)methyl]-1-(thiophen-3-ylmethyl)piperidine is sourced from PubChem (CID 86791653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).