4-methoxy-1-[(5-methylthiophen-2-yl)methyl]piperidine

C12H19NOS — CID 121020761

IUPAC4-methoxy-1-[(5-methylthiophen-2-yl)methyl]piperidine
SMILESCOC1CCN(Cc2ccc(C)s2)CC1
InChIInChI=1S/C12H19NOS/c1-10-3-4-12(15-10)9-13-7-5-11(14-2)6-8-13/h3-4,11H,5-9H2,1-2H3
InChIKeyBERRAPZPPGDAMP-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.67
Rot. Bonds3

About 4-methoxy-1-[(5-methylthiophen-2-yl)methyl]piperidine

4-methoxy-1-[(5-methylthiophen-2-yl)methyl]piperidine (PubChem CID 121020761) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 4-methoxy-1-[(5-methylthiophen-2-yl)methyl]piperidine.

Molecular Properties

Compound Name4-methoxy-1-[(5-methylthiophen-2-yl)methyl]piperidine
PubChem CID121020761
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name4-methoxy-1-[(5-methylthiophen-2-yl)methyl]piperidine
SMILESCOC1CCN(Cc2ccc(C)s2)CC1
InChIInChI=1S/C12H19NOS/c1-10-3-4-12(15-10)9-13-7-5-11(14-2)6-8-13/h3-4,11H,5-9H2,1-2H3
InChIKeyBERRAPZPPGDAMP-UHFFFAOYSA-N
XLogP2.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-[(5-methylthiophen-2-yl)methyl]piperidine
CID 71220628
N-[[5-[(4-methoxypiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107555866
4-ethyl-1-[(5-methylthiophen-2-yl)methyl]piperidine
CID 70894300
(3S)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-ol
CID 103882959
1-[(5-cyclohexylthiophen-2-yl)methyl]-3-methoxypyrrolidine
CID 77090707
3-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]propanoic acid
CID 65062242
(3S)-3-(methoxymethyl)-8-[(5-methylthiophen-2-yl)methyl]-2-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 97375014
3-(cyclopropylmethoxy)-8-[(5-methylthiophen-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 131645179
[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methanol
CID 112631146
2-[(5-methylthiophen-2-yl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79938951
(3R)-3-methyl-1-[(5-methylthiophen-2-yl)methyl]piperazine
CID 103885885
4-(cyclopropylmethyl)-7-[(5-methylthiophen-2-yl)methyl]-2,3,4a,5,6,8,9,9a-octahydro-[1,4]oxazino[2,3-d]azepine
CID 131645182

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-[(5-methylthiophen-2-yl)methyl]piperidine?
The IUPAC name of 4-methoxy-1-[(5-methylthiophen-2-yl)methyl]piperidine (CID 121020761) is 4-methoxy-1-[(5-methylthiophen-2-yl)methyl]piperidine.
What is the SMILES notation for 4-methoxy-1-[(5-methylthiophen-2-yl)methyl]piperidine?
The canonical SMILES for 4-methoxy-1-[(5-methylthiophen-2-yl)methyl]piperidine is COC1CCN(Cc2ccc(C)s2)CC1.
What is the InChIKey of 4-methoxy-1-[(5-methylthiophen-2-yl)methyl]piperidine?
The InChIKey is BERRAPZPPGDAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-10-3-4-12(15-10)9-13-7-5-11(14-2)6-8-13/h3-4,11H,5-9H2,1-2H3.
What are the key properties of 4-methoxy-1-[(5-methylthiophen-2-yl)methyl]piperidine?
4-methoxy-1-[(5-methylthiophen-2-yl)methyl]piperidine has a molecular weight of 225.36 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-[(5-methylthiophen-2-yl)methyl]piperidine is sourced from PubChem (CID 121020761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).