[4-methyl-1-(thiophen-2-ylmethyl)piperidin-4-yl]methanol

C12H19NOS — CID 104695288

IUPAC[4-methyl-1-(thiophen-2-ylmethyl)piperidin-4-yl]methanol
SMILESCC1(CO)CCN(Cc2cccs2)CC1
InChIInChI=1S/C12H19NOS/c1-12(10-14)4-6-13(7-5-12)9-11-3-2-8-15-11/h2-3,8,14H,4-7,9-10H2,1H3
InChIKeyBFTDVEGLIGWSDR-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.34
Rot. Bonds3

About [4-methyl-1-(thiophen-2-ylmethyl)piperidin-4-yl]methanol

[4-methyl-1-(thiophen-2-ylmethyl)piperidin-4-yl]methanol (PubChem CID 104695288) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is [4-methyl-1-(thiophen-2-ylmethyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-methyl-1-(thiophen-2-ylmethyl)piperidin-4-yl]methanol
PubChem CID104695288
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name[4-methyl-1-(thiophen-2-ylmethyl)piperidin-4-yl]methanol
SMILESCC1(CO)CCN(Cc2cccs2)CC1
InChIInChI=1S/C12H19NOS/c1-12(10-14)4-6-13(7-5-12)9-11-3-2-8-15-11/h2-3,8,14H,4-7,9-10H2,1H3
InChIKeyBFTDVEGLIGWSDR-UHFFFAOYSA-N
XLogP2.34
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,9-bis(thiophen-2-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 97370579
N-methyl-1-[3-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methanamine
CID 106318625
4-(thiophen-2-ylmethyl)thiomorpholine
CID 792399
1-(thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63710730
propane;4-(thiophen-2-ylmethyl)morpholine
CID 142296614
[4-methyl-1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methanol
CID 104695286
1-(thiophen-2-ylmethyl)piperazine
CID 566208
(1S)-2-methyl-1-phenyl-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one
CID 97415569
3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 43397030
(3R)-3-propan-2-yl-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 97371261
N-methyl-N-phenyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide
CID 78808493
1-methyl-9-(thiophen-2-ylmethyl)-1,9-diazaspiro[5.5]undecane;bis(2,2,2-trifluoroacetic acid)
CID 155852550

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(thiophen-2-ylmethyl)piperidin-4-yl]methanol?
The IUPAC name of [4-methyl-1-(thiophen-2-ylmethyl)piperidin-4-yl]methanol (CID 104695288) is [4-methyl-1-(thiophen-2-ylmethyl)piperidin-4-yl]methanol.
What is the SMILES notation for [4-methyl-1-(thiophen-2-ylmethyl)piperidin-4-yl]methanol?
The canonical SMILES for [4-methyl-1-(thiophen-2-ylmethyl)piperidin-4-yl]methanol is CC1(CO)CCN(Cc2cccs2)CC1.
What is the InChIKey of [4-methyl-1-(thiophen-2-ylmethyl)piperidin-4-yl]methanol?
The InChIKey is BFTDVEGLIGWSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-12(10-14)4-6-13(7-5-12)9-11-3-2-8-15-11/h2-3,8,14H,4-7,9-10H2,1H3.
What are the key properties of [4-methyl-1-(thiophen-2-ylmethyl)piperidin-4-yl]methanol?
[4-methyl-1-(thiophen-2-ylmethyl)piperidin-4-yl]methanol has a molecular weight of 225.36 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(thiophen-2-ylmethyl)piperidin-4-yl]methanol is sourced from PubChem (CID 104695288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).