[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol

C16H23N3OS — CID 135106200

IUPAC[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol
SMILESCCn1ccc(CN2CCC(C(O)c3cccs3)CC2)n1
InChIInChI=1S/C16H23N3OS/c1-2-19-10-7-14(17-19)12-18-8-5-13(6-9-18)16(20)15-4-3-11-21-15/h3-4,7,10-11,13,16,20H,2,5-6,8-9,12H2,1H3
InChIKeyWXENALKLVIJDNA-UHFFFAOYSA-N
MW305.45 g/mol
LogP2.91
Rot. Bonds5

About [1-[(1-ethylpyrazol-3-yl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol

[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol (PubChem CID 135106200) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is [1-[(1-ethylpyrazol-3-yl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol.

Molecular Properties

Compound Name[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol
PubChem CID135106200
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol
SMILESCCn1ccc(CN2CCC(C(O)c3cccs3)CC2)n1
InChIInChI=1S/C16H23N3OS/c1-2-19-10-7-14(17-19)12-18-8-5-13(6-9-18)16(20)15-4-3-11-21-15/h3-4,7,10-11,13,16,20H,2,5-6,8-9,12H2,1H3
InChIKeyWXENALKLVIJDNA-UHFFFAOYSA-N
XLogP2.91
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(R)-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol
CID 95128111
2-[[4-[(R)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]methyl]-1H-quinolin-4-one
CID 97155043
2-[[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-4-yl]methyl]benzoic acid
CID 146135814
[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol
CID 131904673
(1-methylimidazol-2-yl)-[1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanol
CID 45230799
[1-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-thiophen-2-ylmethanol
CID 45207551
[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-4-yl]-thiophen-2-ylmethanol
CID 50952555
N-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-4-yl]methanesulfonamide
CID 91836825
[1-[2-(benzimidazol-1-yl)ethyl]piperidin-4-yl]-thiophen-2-ylmethanol
CID 135103272
cyclopentyl(thiophen-2-yl)methanol
CID 43753540
(S)-[1-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol
CID 26407832
(S)-[1-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-thiophen-2-ylmethanol
CID 25482206

Frequently Asked Questions

What is the IUPAC name of [1-[(1-ethylpyrazol-3-yl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol?
The IUPAC name of [1-[(1-ethylpyrazol-3-yl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol (CID 135106200) is [1-[(1-ethylpyrazol-3-yl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol.
What is the SMILES notation for [1-[(1-ethylpyrazol-3-yl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol?
The canonical SMILES for [1-[(1-ethylpyrazol-3-yl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol is CCn1ccc(CN2CCC(C(O)c3cccs3)CC2)n1.
What is the InChIKey of [1-[(1-ethylpyrazol-3-yl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol?
The InChIKey is WXENALKLVIJDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-2-19-10-7-14(17-19)12-18-8-5-13(6-9-18)16(20)15-4-3-11-21-15/h3-4,7,10-11,13,16,20H,2,5-6,8-9,12H2,1H3.
What are the key properties of [1-[(1-ethylpyrazol-3-yl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol?
[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol has a molecular weight of 305.45 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-ethylpyrazol-3-yl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol is sourced from PubChem (CID 135106200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).