[1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]methanol

C13H21NOS — CID 99841246

IUPAC[1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]methanol
SMILESCc1cc(CN2CCC(CO)CC2)c(C)s1
InChIInChI=1S/C13H21NOS/c1-10-7-13(11(2)16-10)8-14-5-3-12(9-15)4-6-14/h7,12,15H,3-6,8-9H2,1-2H3
InChIKeyIQCXKVNYEWJBHT-UHFFFAOYSA-N
MW239.38 g/mol
LogP2.57
Rot. Bonds3

About [1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]methanol

[1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]methanol (PubChem CID 99841246) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is [1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]methanol
PubChem CID99841246
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name[1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]methanol
SMILESCc1cc(CN2CCC(CO)CC2)c(C)s1
InChIInChI=1S/C13H21NOS/c1-10-7-13(11(2)16-10)8-14-5-3-12(9-15)4-6-14/h7,12,15H,3-6,8-9H2,1-2H3
InChIKeyIQCXKVNYEWJBHT-UHFFFAOYSA-N
XLogP2.57
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-{1-(4-Methylbenzyl)-4-[(5-methyl-2-thienyl)methyl]-2-piperazinyl}ethanol
CID 16188240
2-{1-Benzyl-4-[(5-methyl-2-thienyl)methyl]piperazin-2-yl}ethanol
CID 16191077
2-{1-Isobutyl-4-[(5-methyl-2-thienyl)methyl]piperazin-2-yl}ethanol
CID 16191481
2-[1-(3-Methylbutyl)-4-(2-thienylmethyl)-2-piperazinyl]ethanol
CID 16189110
2-{1-(3-Methyl-2-buten-1-yl)-4-[(5-methyl-2-thienyl)methyl]-2-piperazinyl}ethanol
CID 16190877
2-{1-(3-Methylbutyl)-4-[(5-methyl-2-thienyl)methyl]-2-piperazinyl}ethanol
CID 16190997
2-[1-Benzyl-4-(2-thienylmethyl)-2-piperazinyl]ethanol
CID 16192245
2-[Benzyl(3-thienylmethyl)amino]ethanol
CID 23910978
2-[4-[(3-Methylthiophen-2-yl)methyl]piperazin-1-yl]ethanol
CID 779464
2-[Benzyl(thiophen-2-ylmethyl)amino]ethanol
CID 782513
[1-[(3-Methylthiophen-2-yl)methyl]piperidin-2-yl]methanol
CID 2843228
3-[(Dimethylamino)methyl]-1-[(3-methyl-2-thienyl)methyl]-3-piperidinol
CID 56892857

Frequently Asked Questions

What is the IUPAC name of [1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]methanol (CID 99841246) is [1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]methanol is Cc1cc(CN2CCC(CO)CC2)c(C)s1.
What is the InChIKey of [1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]methanol?
The InChIKey is IQCXKVNYEWJBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-10-7-13(11(2)16-10)8-14-5-3-12(9-15)4-6-14/h7,12,15H,3-6,8-9H2,1-2H3.
What are the key properties of [1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]methanol?
[1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]methanol has a molecular weight of 239.38 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 99841246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).