N-[(1-methylpiperidin-3-yl)methyl]-1-thiophen-3-ylethanamine

C13H22N2S — CID 62090707

IUPACN-[(1-methylpiperidin-3-yl)methyl]-1-thiophen-3-ylethanamine
SMILESCC(NCC1CCCN(C)C1)c1ccsc1
InChIInChI=1S/C13H22N2S/c1-11(13-5-7-16-10-13)14-8-12-4-3-6-15(2)9-12/h5,7,10-12,14H,3-4,6,8-9H2,1-2H3
InChIKeyAVPDOMSNNKHPIY-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.74
Rot. Bonds4

About N-[(1-methylpiperidin-3-yl)methyl]-1-thiophen-3-ylethanamine

N-[(1-methylpiperidin-3-yl)methyl]-1-thiophen-3-ylethanamine (PubChem CID 62090707) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is N-[(1-methylpiperidin-3-yl)methyl]-1-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-[(1-methylpiperidin-3-yl)methyl]-1-thiophen-3-ylethanamine
PubChem CID62090707
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC NameN-[(1-methylpiperidin-3-yl)methyl]-1-thiophen-3-ylethanamine
SMILESCC(NCC1CCCN(C)C1)c1ccsc1
InChIInChI=1S/C13H22N2S/c1-11(13-5-7-16-10-13)14-8-12-4-3-6-15(2)9-12/h5,7,10-12,14H,3-4,6,8-9H2,1-2H3
InChIKeyAVPDOMSNNKHPIY-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-N-[(1-methylpiperidin-3-yl)methyl]-1-phenylethanamine
CID 81350574
(1S)-1-(furan-2-yl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine
CID 81403787
1-(5-bromofuran-2-yl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine
CID 113437537
(1R)-1-(2-bromophenyl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine
CID 81379189
N-(cyclohex-3-en-1-ylmethyl)-1-thiophen-3-ylethanamine
CID 62091594
2-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol
CID 64927505
N-[(1,1-dioxothiolan-2-yl)methyl]-1-thiophen-3-ylethanamine
CID 81038590
3-pyrrolidin-1-yl-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 62091363
N-[(1-methylpiperidin-3-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 106281613
2-piperidin-1-yl-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 62089125
N-(1-thiophen-3-ylethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 62090694
1-cyclopropyl-2-(1-thiophen-3-ylethylamino)ethanol
CID 63295027

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-3-yl)methyl]-1-thiophen-3-ylethanamine?
The IUPAC name of N-[(1-methylpiperidin-3-yl)methyl]-1-thiophen-3-ylethanamine (CID 62090707) is N-[(1-methylpiperidin-3-yl)methyl]-1-thiophen-3-ylethanamine.
What is the SMILES notation for N-[(1-methylpiperidin-3-yl)methyl]-1-thiophen-3-ylethanamine?
The canonical SMILES for N-[(1-methylpiperidin-3-yl)methyl]-1-thiophen-3-ylethanamine is CC(NCC1CCCN(C)C1)c1ccsc1.
What is the InChIKey of N-[(1-methylpiperidin-3-yl)methyl]-1-thiophen-3-ylethanamine?
The InChIKey is AVPDOMSNNKHPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-11(13-5-7-16-10-13)14-8-12-4-3-6-15(2)9-12/h5,7,10-12,14H,3-4,6,8-9H2,1-2H3.
What are the key properties of N-[(1-methylpiperidin-3-yl)methyl]-1-thiophen-3-ylethanamine?
N-[(1-methylpiperidin-3-yl)methyl]-1-thiophen-3-ylethanamine has a molecular weight of 238.40 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-3-yl)methyl]-1-thiophen-3-ylethanamine is sourced from PubChem (CID 62090707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).