1-[1-[(5-methylthiophen-2-yl)methyl]piperidin-2-yl]ethanamine

C13H22N2S — CID 63254745

IUPAC1-[1-[(5-methylthiophen-2-yl)methyl]piperidin-2-yl]ethanamine
SMILESCc1ccc(CN2CCCCC2C(C)N)s1
InChIInChI=1S/C13H22N2S/c1-10-6-7-12(16-10)9-15-8-4-3-5-13(15)11(2)14/h6-7,11,13H,3-5,8-9,14H2,1-2H3
InChIKeyTWURWCDVZFALMI-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.76
Rot. Bonds3

About 1-[1-[(5-methylthiophen-2-yl)methyl]piperidin-2-yl]ethanamine

1-[1-[(5-methylthiophen-2-yl)methyl]piperidin-2-yl]ethanamine (PubChem CID 63254745) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 1-[1-[(5-methylthiophen-2-yl)methyl]piperidin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(5-methylthiophen-2-yl)methyl]piperidin-2-yl]ethanamine
PubChem CID63254745
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name1-[1-[(5-methylthiophen-2-yl)methyl]piperidin-2-yl]ethanamine
SMILESCc1ccc(CN2CCCCC2C(C)N)s1
InChIInChI=1S/C13H22N2S/c1-10-6-7-12(16-10)9-15-8-4-3-5-13(15)11(2)14/h6-7,11,13H,3-5,8-9,14H2,1-2H3
InChIKeyTWURWCDVZFALMI-UHFFFAOYSA-N
XLogP2.76
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine
CID 115311784
1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-2-yl]ethanamine
CID 63255733
1-[1-[(2-chlorothiophen-3-yl)methyl]piperidin-2-yl]ethanamine
CID 120897041
4-[[2-(1-aminoethyl)piperidin-1-yl]methyl]phenol
CID 63254190
1-[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]ethanamine
CID 55168005
1-[1-(1,2-oxazol-3-ylmethyl)piperidin-2-yl]ethanamine
CID 119911607
1-[1-[(2,4-dimethylphenyl)methyl]piperidin-2-yl]ethanamine
CID 63254150
1-[1-[(2,5-dimethylphenyl)methyl]piperidin-2-yl]ethanamine;hydrochloride
CID 119911372
1-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-2-yl]ethanamine
CID 106865562
1-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-2-yl]ethanamine
CID 63256134
2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-2-yl]-1,3-thiazole
CID 77087825
1-[1-[(3-fluorophenyl)methyl]piperidin-2-yl]ethanamine
CID 63254271

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-methylthiophen-2-yl)methyl]piperidin-2-yl]ethanamine?
The IUPAC name of 1-[1-[(5-methylthiophen-2-yl)methyl]piperidin-2-yl]ethanamine (CID 63254745) is 1-[1-[(5-methylthiophen-2-yl)methyl]piperidin-2-yl]ethanamine.
What is the SMILES notation for 1-[1-[(5-methylthiophen-2-yl)methyl]piperidin-2-yl]ethanamine?
The canonical SMILES for 1-[1-[(5-methylthiophen-2-yl)methyl]piperidin-2-yl]ethanamine is Cc1ccc(CN2CCCCC2C(C)N)s1.
What is the InChIKey of 1-[1-[(5-methylthiophen-2-yl)methyl]piperidin-2-yl]ethanamine?
The InChIKey is TWURWCDVZFALMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-10-6-7-12(16-10)9-15-8-4-3-5-13(15)11(2)14/h6-7,11,13H,3-5,8-9,14H2,1-2H3.
What are the key properties of 1-[1-[(5-methylthiophen-2-yl)methyl]piperidin-2-yl]ethanamine?
1-[1-[(5-methylthiophen-2-yl)methyl]piperidin-2-yl]ethanamine has a molecular weight of 238.40 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-methylthiophen-2-yl)methyl]piperidin-2-yl]ethanamine is sourced from PubChem (CID 63254745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).