N-methyl-N-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperidin-4-amine

C15H22N4S — CID 120835285

IUPACN-methyl-N-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperidin-4-amine
SMILESCN(Cc1ccc(-c2cnn(C)c2)s1)C1CCNCC1
InChIInChI=1S/C15H22N4S/c1-18(13-5-7-16-8-6-13)11-14-3-4-15(20-14)12-9-17-19(2)10-12/h3-4,9-10,13,16H,5-8,11H2,1-2H3
InChIKeyMEAOEEBNNFWVNH-UHFFFAOYSA-N
MW290.44 g/mol
LogP2.33
Rot. Bonds4

About N-methyl-N-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperidin-4-amine

N-methyl-N-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperidin-4-amine (PubChem CID 120835285) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is N-methyl-N-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperidin-4-amine
PubChem CID120835285
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC NameN-methyl-N-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperidin-4-amine
SMILESCN(Cc1ccc(-c2cnn(C)c2)s1)C1CCNCC1
InChIInChI=1S/C15H22N4S/c1-18(13-5-7-16-8-6-13)11-14-3-4-15(20-14)12-9-17-19(2)10-12/h3-4,9-10,13,16H,5-8,11H2,1-2H3
InChIKeyMEAOEEBNNFWVNH-UHFFFAOYSA-N
XLogP2.33
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperidin-4-amine?
The IUPAC name of N-methyl-N-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperidin-4-amine (CID 120835285) is N-methyl-N-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperidin-4-amine.
What is the SMILES notation for N-methyl-N-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperidin-4-amine?
The canonical SMILES for N-methyl-N-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperidin-4-amine is CN(Cc1ccc(-c2cnn(C)c2)s1)C1CCNCC1.
What is the InChIKey of N-methyl-N-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperidin-4-amine?
The InChIKey is MEAOEEBNNFWVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-18(13-5-7-16-8-6-13)11-14-3-4-15(20-14)12-9-17-19(2)10-12/h3-4,9-10,13,16H,5-8,11H2,1-2H3.
What are the key properties of N-methyl-N-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperidin-4-amine?
N-methyl-N-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperidin-4-amine has a molecular weight of 290.44 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 120835285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).