1-[(3-methylthiophen-2-yl)methyl]-3-(1H-pyrazol-5-yl)piperidine

C14H19N3S — CID 45194502

IUPAC1-[(3-methylthiophen-2-yl)methyl]-3-(1H-pyrazol-5-yl)piperidine
SMILESCc1ccsc1CN1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C14H19N3S/c1-11-5-8-18-14(11)10-17-7-2-3-12(9-17)13-4-6-15-16-13/h4-6,8,12H,2-3,7,9-10H2,1H3,(H,15,16)
InChIKeyVGGWLCJRFQGPHH-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.16
Rot. Bonds3

About 1-[(3-methylthiophen-2-yl)methyl]-3-(1H-pyrazol-5-yl)piperidine

1-[(3-methylthiophen-2-yl)methyl]-3-(1H-pyrazol-5-yl)piperidine (PubChem CID 45194502) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 1-[(3-methylthiophen-2-yl)methyl]-3-(1H-pyrazol-5-yl)piperidine.

Molecular Properties

Compound Name1-[(3-methylthiophen-2-yl)methyl]-3-(1H-pyrazol-5-yl)piperidine
PubChem CID45194502
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name1-[(3-methylthiophen-2-yl)methyl]-3-(1H-pyrazol-5-yl)piperidine
SMILESCc1ccsc1CN1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C14H19N3S/c1-11-5-8-18-14(11)10-17-7-2-3-12(9-17)13-4-6-15-16-13/h4-6,8,12H,2-3,7,9-10H2,1H3,(H,15,16)
InChIKeyVGGWLCJRFQGPHH-UHFFFAOYSA-N
XLogP3.16
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylthiophen-2-yl)methyl]-3-(1H-pyrazol-5-yl)piperidine?
The IUPAC name of 1-[(3-methylthiophen-2-yl)methyl]-3-(1H-pyrazol-5-yl)piperidine (CID 45194502) is 1-[(3-methylthiophen-2-yl)methyl]-3-(1H-pyrazol-5-yl)piperidine.
What is the SMILES notation for 1-[(3-methylthiophen-2-yl)methyl]-3-(1H-pyrazol-5-yl)piperidine?
The canonical SMILES for 1-[(3-methylthiophen-2-yl)methyl]-3-(1H-pyrazol-5-yl)piperidine is Cc1ccsc1CN1CCCC(c2ccn[nH]2)C1.
What is the InChIKey of 1-[(3-methylthiophen-2-yl)methyl]-3-(1H-pyrazol-5-yl)piperidine?
The InChIKey is VGGWLCJRFQGPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-11-5-8-18-14(11)10-17-7-2-3-12(9-17)13-4-6-15-16-13/h4-6,8,12H,2-3,7,9-10H2,1H3,(H,15,16).
What are the key properties of 1-[(3-methylthiophen-2-yl)methyl]-3-(1H-pyrazol-5-yl)piperidine?
1-[(3-methylthiophen-2-yl)methyl]-3-(1H-pyrazol-5-yl)piperidine has a molecular weight of 261.39 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylthiophen-2-yl)methyl]-3-(1H-pyrazol-5-yl)piperidine is sourced from PubChem (CID 45194502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).