(2S)-1-[(2-methylpyrazol-3-yl)methyl]-2-(2-thiophen-2-ylethyl)piperidine

C16H23N3S — CID 28954884

IUPAC(2S)-1-[(2-methylpyrazol-3-yl)methyl]-2-(2-thiophen-2-ylethyl)piperidine
SMILESCn1nccc1CN1CCCC[C@H]1CCc1cccs1
InChIInChI=1S/C16H23N3S/c1-18-15(9-10-17-18)13-19-11-3-2-5-14(19)7-8-16-6-4-12-20-16/h4,6,9-10,12,14H,2-3,5,7-8,11,13H2,1H3/t14-/m0/s1
InChIKeyIYPPUPQSKVMLLG-AWEZNQCLSA-N
MW289.45 g/mol
LogP3.47
Rot. Bonds5

About (2S)-1-[(2-methylpyrazol-3-yl)methyl]-2-(2-thiophen-2-ylethyl)piperidine

(2S)-1-[(2-methylpyrazol-3-yl)methyl]-2-(2-thiophen-2-ylethyl)piperidine (PubChem CID 28954884) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is (2S)-1-[(2-methylpyrazol-3-yl)methyl]-2-(2-thiophen-2-ylethyl)piperidine.

Molecular Properties

Compound Name(2S)-1-[(2-methylpyrazol-3-yl)methyl]-2-(2-thiophen-2-ylethyl)piperidine
PubChem CID28954884
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC Name(2S)-1-[(2-methylpyrazol-3-yl)methyl]-2-(2-thiophen-2-ylethyl)piperidine
SMILESCn1nccc1CN1CCCC[C@H]1CCc1cccs1
InChIInChI=1S/C16H23N3S/c1-18-15(9-10-17-18)13-19-11-3-2-5-14(19)7-8-16-6-4-12-20-16/h4,6,9-10,12,14H,2-3,5,7-8,11,13H2,1H3/t14-/m0/s1
InChIKeyIYPPUPQSKVMLLG-AWEZNQCLSA-N
XLogP3.47
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-6-[[(2R)-2-(2-thiophen-2-ylethyl)piperidin-1-yl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137048562
2-(2-bromoethyl)-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine
CID 103015231
2-(chloromethyl)-1-(2-thiophen-2-ylethyl)piperidine
CID 63775037
1-(1-methylpyrazol-4-yl)sulfonyl-2-(2-thiophen-2-ylethyl)piperidine
CID 70768696
5-[(2R)-1-[(2-methylpyrazol-3-yl)methyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidine
CID 125014658
2-(3-bromopropyl)-1-(2-thiophen-2-ylethyl)pyrrolidine
CID 80690784
2-methyl-6-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]pyridazin-3-one
CID 45229333
N-[2-(2-ethylpiperidin-1-yl)ethyl]-2-thiophen-2-ylethanamine
CID 62575431
3-(1-methylpyrazol-4-yl)-1-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]propan-1-one
CID 70733559
1-[(2-methylpyrazol-3-yl)methyl]-2-pyrrolidin-2-ylpiperidine
CID 63256578
N-[[1-(thiophen-2-ylmethyl)piperidin-2-yl]methyl]propan-1-amine
CID 62580578
4-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]sulfonylmorpholine
CID 70727742

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2-methylpyrazol-3-yl)methyl]-2-(2-thiophen-2-ylethyl)piperidine?
The IUPAC name of (2S)-1-[(2-methylpyrazol-3-yl)methyl]-2-(2-thiophen-2-ylethyl)piperidine (CID 28954884) is (2S)-1-[(2-methylpyrazol-3-yl)methyl]-2-(2-thiophen-2-ylethyl)piperidine.
What is the SMILES notation for (2S)-1-[(2-methylpyrazol-3-yl)methyl]-2-(2-thiophen-2-ylethyl)piperidine?
The canonical SMILES for (2S)-1-[(2-methylpyrazol-3-yl)methyl]-2-(2-thiophen-2-ylethyl)piperidine is Cn1nccc1CN1CCCC[C@H]1CCc1cccs1.
What is the InChIKey of (2S)-1-[(2-methylpyrazol-3-yl)methyl]-2-(2-thiophen-2-ylethyl)piperidine?
The InChIKey is IYPPUPQSKVMLLG-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23N3S/c1-18-15(9-10-17-18)13-19-11-3-2-5-14(19)7-8-16-6-4-12-20-16/h4,6,9-10,12,14H,2-3,5,7-8,11,13H2,1H3/t14-/m0/s1.
What are the key properties of (2S)-1-[(2-methylpyrazol-3-yl)methyl]-2-(2-thiophen-2-ylethyl)piperidine?
(2S)-1-[(2-methylpyrazol-3-yl)methyl]-2-(2-thiophen-2-ylethyl)piperidine has a molecular weight of 289.45 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2-methylpyrazol-3-yl)methyl]-2-(2-thiophen-2-ylethyl)piperidine is sourced from PubChem (CID 28954884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).