[3-amino-1-[(1-methyl-3-thiophen-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methanol

C15H22N4OS — CID 167941077

IUPAC[3-amino-1-[(1-methyl-3-thiophen-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methanol
SMILESCn1cc(CN2CCCC(N)(CO)C2)c(-c2cccs2)n1
InChIInChI=1S/C15H22N4OS/c1-18-8-12(14(17-18)13-4-2-7-21-13)9-19-6-3-5-15(16,10-19)11-20/h2,4,7-8,20H,3,5-6,9-11,16H2,1H3
InChIKeyLZCKFGXVHMERRQ-UHFFFAOYSA-N
MW306.43 g/mol
LogP1.43
Rot. Bonds4

About [3-amino-1-[(1-methyl-3-thiophen-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methanol

[3-amino-1-[(1-methyl-3-thiophen-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methanol (PubChem CID 167941077) has the molecular formula C15H22N4OS and a molecular weight of 306.43 g/mol. Its IUPAC name is [3-amino-1-[(1-methyl-3-thiophen-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-amino-1-[(1-methyl-3-thiophen-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methanol
PubChem CID167941077
Molecular FormulaC15H22N4OS
Molecular Weight306.43 g/mol
Exact Mass306.15
IUPAC Name[3-amino-1-[(1-methyl-3-thiophen-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methanol
SMILESCn1cc(CN2CCCC(N)(CO)C2)c(-c2cccs2)n1
InChIInChI=1S/C15H22N4OS/c1-18-8-12(14(17-18)13-4-2-7-21-13)9-19-6-3-5-15(16,10-19)11-20/h2,4,7-8,20H,3,5-6,9-11,16H2,1H3
InChIKeyLZCKFGXVHMERRQ-UHFFFAOYSA-N
XLogP1.43
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-amino-1-[(1-methyl-3-thiophen-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [3-amino-1-[(1-methyl-3-thiophen-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methanol (CID 167941077) is [3-amino-1-[(1-methyl-3-thiophen-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [3-amino-1-[(1-methyl-3-thiophen-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [3-amino-1-[(1-methyl-3-thiophen-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methanol is Cn1cc(CN2CCCC(N)(CO)C2)c(-c2cccs2)n1.
What is the InChIKey of [3-amino-1-[(1-methyl-3-thiophen-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methanol?
The InChIKey is LZCKFGXVHMERRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-18-8-12(14(17-18)13-4-2-7-21-13)9-19-6-3-5-15(16,10-19)11-20/h2,4,7-8,20H,3,5-6,9-11,16H2,1H3.
What are the key properties of [3-amino-1-[(1-methyl-3-thiophen-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methanol?
[3-amino-1-[(1-methyl-3-thiophen-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methanol has a molecular weight of 306.43 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-1-[(1-methyl-3-thiophen-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 167941077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).