N-[[1-[1-(5-ethylthiophen-2-yl)ethyl]piperidin-4-yl]methyl]ethanamine

C16H28N2S — CID 80550991

IUPACN-[[1-[1-(5-ethylthiophen-2-yl)ethyl]piperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(C(C)c2ccc(CC)s2)CC1
InChIInChI=1S/C16H28N2S/c1-4-15-6-7-16(19-15)13(3)18-10-8-14(9-11-18)12-17-5-2/h6-7,13-14,17H,4-5,8-12H2,1-3H3
InChIKeyNQCMOFRCYNRROM-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.69
Rot. Bonds6

About N-[[1-[1-(5-ethylthiophen-2-yl)ethyl]piperidin-4-yl]methyl]ethanamine

N-[[1-[1-(5-ethylthiophen-2-yl)ethyl]piperidin-4-yl]methyl]ethanamine (PubChem CID 80550991) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is N-[[1-[1-(5-ethylthiophen-2-yl)ethyl]piperidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[1-(5-ethylthiophen-2-yl)ethyl]piperidin-4-yl]methyl]ethanamine
PubChem CID80550991
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC NameN-[[1-[1-(5-ethylthiophen-2-yl)ethyl]piperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(C(C)c2ccc(CC)s2)CC1
InChIInChI=1S/C16H28N2S/c1-4-15-6-7-16(19-15)13(3)18-10-8-14(9-11-18)12-17-5-2/h6-7,13-14,17H,4-5,8-12H2,1-3H3
InChIKeyNQCMOFRCYNRROM-UHFFFAOYSA-N
XLogP3.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(5-ethylthiophen-2-yl)ethyl]pyrrolidin-3-amine
CID 62069492
N-[[1-[1-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 80550847
N-[[1-[1-(3-methylthiophen-2-yl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 80551539
1-[1-[1-(5-ethylthiophen-2-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine
CID 80546975
5-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]benzene-1,3-diol
CID 107707674
N-[[1-[1-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 80550763
4-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]-N,N-dimethylaniline
CID 80550513
1-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylpiperidine-4-carboxylic acid
CID 65064663
1-[1-(5-ethylthiophen-2-yl)ethyl]-3,5-dimethylpiperazine
CID 63863302
N-[1-(5-ethylthiophen-2-yl)ethyl]-1-propan-2-ylpiperidin-4-amine
CID 54979176
N-[[1-(1-naphthalen-2-ylethyl)piperidin-4-yl]methyl]ethanamine
CID 119927809
3-[4-[1-(5-ethylthiophen-2-yl)ethyl]piperazin-1-yl]propanoic acid
CID 65053856

Frequently Asked Questions

What is the IUPAC name of N-[[1-[1-(5-ethylthiophen-2-yl)ethyl]piperidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[1-(5-ethylthiophen-2-yl)ethyl]piperidin-4-yl]methyl]ethanamine (CID 80550991) is N-[[1-[1-(5-ethylthiophen-2-yl)ethyl]piperidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[1-(5-ethylthiophen-2-yl)ethyl]piperidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[1-(5-ethylthiophen-2-yl)ethyl]piperidin-4-yl]methyl]ethanamine is CCNCC1CCN(C(C)c2ccc(CC)s2)CC1.
What is the InChIKey of N-[[1-[1-(5-ethylthiophen-2-yl)ethyl]piperidin-4-yl]methyl]ethanamine?
The InChIKey is NQCMOFRCYNRROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-4-15-6-7-16(19-15)13(3)18-10-8-14(9-11-18)12-17-5-2/h6-7,13-14,17H,4-5,8-12H2,1-3H3.
What are the key properties of N-[[1-[1-(5-ethylthiophen-2-yl)ethyl]piperidin-4-yl]methyl]ethanamine?
N-[[1-[1-(5-ethylthiophen-2-yl)ethyl]piperidin-4-yl]methyl]ethanamine has a molecular weight of 280.48 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[1-(5-ethylthiophen-2-yl)ethyl]piperidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 80550991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).