1-[5-[[4-(ethoxymethyl)piperidin-1-yl]methyl]thiophen-3-yl]-N,N-dimethylmethanamine

C16H28N2OS — CID 77082788

IUPAC1-[5-[[4-(ethoxymethyl)piperidin-1-yl]methyl]thiophen-3-yl]-N,N-dimethylmethanamine
SMILESCCOCC1CCN(Cc2cc(CN(C)C)cs2)CC1
InChIInChI=1S/C16H28N2OS/c1-4-19-12-14-5-7-18(8-6-14)11-16-9-15(13-20-16)10-17(2)3/h9,13-14H,4-8,10-12H2,1-3H3
InChIKeyDSEJPMILISHIOM-UHFFFAOYSA-N
MW296.48 g/mol
LogP3.06
Rot. Bonds7

About 1-[5-[[4-(ethoxymethyl)piperidin-1-yl]methyl]thiophen-3-yl]-N,N-dimethylmethanamine

1-[5-[[4-(ethoxymethyl)piperidin-1-yl]methyl]thiophen-3-yl]-N,N-dimethylmethanamine (PubChem CID 77082788) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is 1-[5-[[4-(ethoxymethyl)piperidin-1-yl]methyl]thiophen-3-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[5-[[4-(ethoxymethyl)piperidin-1-yl]methyl]thiophen-3-yl]-N,N-dimethylmethanamine
PubChem CID77082788
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC Name1-[5-[[4-(ethoxymethyl)piperidin-1-yl]methyl]thiophen-3-yl]-N,N-dimethylmethanamine
SMILESCCOCC1CCN(Cc2cc(CN(C)C)cs2)CC1
InChIInChI=1S/C16H28N2OS/c1-4-19-12-14-5-7-18(8-6-14)11-16-9-15(13-20-16)10-17(2)3/h9,13-14H,4-8,10-12H2,1-3H3
InChIKeyDSEJPMILISHIOM-UHFFFAOYSA-N
XLogP3.06
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]-N,N-dimethylazepan-4-amine
CID 74251551
1-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]piperidine-3-carbonitrile
CID 74248005
[(2R)-4-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]-1-methylpiperazin-2-yl]methanol
CID 99929213
1-[5-[[3-(4-fluorophenoxy)azetidin-1-yl]methyl]thiophen-3-yl]-N,N-dimethylmethanamine
CID 77095979
N,N-dimethyl-1-[1-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]ethanamine
CID 70711258
N,N-dimethyl-1-[5-[[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methyl]thiophen-3-yl]methanamine
CID 77092563
N-[[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]methyl]acetamide
CID 70708646
N-[[1-[(4-bromothiophen-2-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119928141
1-methyl-4-[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]piperidine
CID 56901814
(5S)-9-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95873408
9-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56900091
2-[2-[4-(ethoxymethyl)piperidin-1-yl]ethoxy]ethanol
CID 111439736

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[4-(ethoxymethyl)piperidin-1-yl]methyl]thiophen-3-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[5-[[4-(ethoxymethyl)piperidin-1-yl]methyl]thiophen-3-yl]-N,N-dimethylmethanamine (CID 77082788) is 1-[5-[[4-(ethoxymethyl)piperidin-1-yl]methyl]thiophen-3-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[5-[[4-(ethoxymethyl)piperidin-1-yl]methyl]thiophen-3-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[5-[[4-(ethoxymethyl)piperidin-1-yl]methyl]thiophen-3-yl]-N,N-dimethylmethanamine is CCOCC1CCN(Cc2cc(CN(C)C)cs2)CC1.
What is the InChIKey of 1-[5-[[4-(ethoxymethyl)piperidin-1-yl]methyl]thiophen-3-yl]-N,N-dimethylmethanamine?
The InChIKey is DSEJPMILISHIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-4-19-12-14-5-7-18(8-6-14)11-16-9-15(13-20-16)10-17(2)3/h9,13-14H,4-8,10-12H2,1-3H3.
What are the key properties of 1-[5-[[4-(ethoxymethyl)piperidin-1-yl]methyl]thiophen-3-yl]-N,N-dimethylmethanamine?
1-[5-[[4-(ethoxymethyl)piperidin-1-yl]methyl]thiophen-3-yl]-N,N-dimethylmethanamine has a molecular weight of 296.48 g/mol, XLogP of 3.06, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[4-(ethoxymethyl)piperidin-1-yl]methyl]thiophen-3-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 77082788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).