[4-[(5-ethylthiophen-2-yl)methyl]piperidin-4-yl]methanol

C13H21NOS — CID 66024976

IUPAC[4-[(5-ethylthiophen-2-yl)methyl]piperidin-4-yl]methanol
SMILESCCc1ccc(CC2(CO)CCNCC2)s1
InChIInChI=1S/C13H21NOS/c1-2-11-3-4-12(16-11)9-13(10-15)5-7-14-8-6-13/h3-4,14-15H,2,5-10H2,1H3
InChIKeyWBDUDUCOTDTDSM-UHFFFAOYSA-N
MW239.38 g/mol
LogP2.22
Rot. Bonds4

About [4-[(5-ethylthiophen-2-yl)methyl]piperidin-4-yl]methanol

[4-[(5-ethylthiophen-2-yl)methyl]piperidin-4-yl]methanol (PubChem CID 66024976) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is [4-[(5-ethylthiophen-2-yl)methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-[(5-ethylthiophen-2-yl)methyl]piperidin-4-yl]methanol
PubChem CID66024976
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name[4-[(5-ethylthiophen-2-yl)methyl]piperidin-4-yl]methanol
SMILESCCc1ccc(CC2(CO)CCNCC2)s1
InChIInChI=1S/C13H21NOS/c1-2-11-3-4-12(16-11)9-13(10-15)5-7-14-8-6-13/h3-4,14-15H,2,5-10H2,1H3
InChIKeyWBDUDUCOTDTDSM-UHFFFAOYSA-N
XLogP2.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(5-ethylthiophen-2-yl)methyl]oxan-4-yl]methanol
CID 66023872
2-(5-ethylthiophen-2-yl)-1-(4-methylpiperidin-4-yl)ethanone
CID 116567731
2-[[1-(chloromethyl)cyclobutyl]methyl]-5-ethylthiophene
CID 66034874
2-[[1-(bromomethyl)cyclohexyl]methyl]-5-ethylthiophene
CID 66049979
[1-[(5-chlorothiophen-2-yl)methyl]cyclopropyl]methanol
CID 66025210
3-[(5-ethylthiophen-2-yl)methyl]-3-fluoroazetidine
CID 112563362
N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclopentyl]methyl]propan-2-amine
CID 55194898
2,5-diethylthiophene
CID 521294
[4-[(2,4,6-trimethylphenyl)methyl]piperidin-4-yl]methanol
CID 66024977
[4-[(1,3-diethylpyrazol-5-yl)methyl]piperidin-4-yl]methanol
CID 66025190
2-(5-ethylthiophen-2-yl)-1-(3-methylpyrrolidin-3-yl)ethanone
CID 116570139
N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 55106645

Frequently Asked Questions

What is the IUPAC name of [4-[(5-ethylthiophen-2-yl)methyl]piperidin-4-yl]methanol?
The IUPAC name of [4-[(5-ethylthiophen-2-yl)methyl]piperidin-4-yl]methanol (CID 66024976) is [4-[(5-ethylthiophen-2-yl)methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [4-[(5-ethylthiophen-2-yl)methyl]piperidin-4-yl]methanol?
The canonical SMILES for [4-[(5-ethylthiophen-2-yl)methyl]piperidin-4-yl]methanol is CCc1ccc(CC2(CO)CCNCC2)s1.
What is the InChIKey of [4-[(5-ethylthiophen-2-yl)methyl]piperidin-4-yl]methanol?
The InChIKey is WBDUDUCOTDTDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-2-11-3-4-12(16-11)9-13(10-15)5-7-14-8-6-13/h3-4,14-15H,2,5-10H2,1H3.
What are the key properties of [4-[(5-ethylthiophen-2-yl)methyl]piperidin-4-yl]methanol?
[4-[(5-ethylthiophen-2-yl)methyl]piperidin-4-yl]methanol has a molecular weight of 239.38 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-ethylthiophen-2-yl)methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 66024976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).