N-ethyl-4-methyl-4-piperidin-1-yl-1-thiophen-3-ylpentan-3-amine

C17H30N2S — CID 79045793

IUPACN-ethyl-4-methyl-4-piperidin-1-yl-1-thiophen-3-ylpentan-3-amine
SMILESCCNC(CCc1ccsc1)C(C)(C)N1CCCCC1
InChIInChI=1S/C17H30N2S/c1-4-18-16(9-8-15-10-13-20-14-15)17(2,3)19-11-6-5-7-12-19/h10,13-14,16,18H,4-9,11-12H2,1-3H3
InChIKeyUPFYVJOCVYHVMC-UHFFFAOYSA-N
MW294.51 g/mol
LogP3.92
Rot. Bonds7

About N-ethyl-4-methyl-4-piperidin-1-yl-1-thiophen-3-ylpentan-3-amine

N-ethyl-4-methyl-4-piperidin-1-yl-1-thiophen-3-ylpentan-3-amine (PubChem CID 79045793) has the molecular formula C17H30N2S and a molecular weight of 294.51 g/mol. Its IUPAC name is N-ethyl-4-methyl-4-piperidin-1-yl-1-thiophen-3-ylpentan-3-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-4-piperidin-1-yl-1-thiophen-3-ylpentan-3-amine
PubChem CID79045793
Molecular FormulaC17H30N2S
Molecular Weight294.51 g/mol
Exact Mass294.21
IUPAC NameN-ethyl-4-methyl-4-piperidin-1-yl-1-thiophen-3-ylpentan-3-amine
SMILESCCNC(CCc1ccsc1)C(C)(C)N1CCCCC1
InChIInChI=1S/C17H30N2S/c1-4-18-16(9-8-15-10-13-20-14-15)17(2,3)19-11-6-5-7-12-19/h10,13-14,16,18H,4-9,11-12H2,1-3H3
InChIKeyUPFYVJOCVYHVMC-UHFFFAOYSA-N
XLogP3.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-methyl-4-pyrrolidin-1-yl-1-thiophen-3-ylhexan-3-amine
CID 79069127
N,4-dimethyl-4-morpholin-4-yl-1-thiophen-3-ylpentan-3-amine
CID 79051611
N-ethyl-2-methyl-2-piperidin-1-yl-1-thiophen-3-ylpropan-1-amine
CID 79045109
N-ethyl-2-methyl-2-piperidin-1-yloctan-3-amine
CID 79045571
4-methyl-4-morpholin-4-yl-1-thiophen-3-ylpentan-3-ol
CID 79045888
1-(4-chlorophenyl)-N-ethyl-3-methyl-3-piperidin-1-ylbutan-2-amine
CID 79052033
N-ethyl-1-(4-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-amine
CID 79052048
4-methyl-4-piperidin-1-yl-N-propyl-1-thiophen-2-ylpentan-3-amine
CID 79052192
1-[1-(ethylamino)-3-thiophen-3-ylpropyl]-N,N-dimethylcyclohexan-1-amine
CID 79066376
1-[1-(ethylamino)-3-thiophen-3-ylpropyl]-N,N-dimethylcycloheptan-1-amine
CID 79064190
2-(azepan-1-yl)-N-ethyl-2-methyloct-6-yn-3-amine
CID 104806402
1-cyclopentyl-N-ethyl-4-thiophen-3-ylbutan-2-amine
CID 115856888

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-4-piperidin-1-yl-1-thiophen-3-ylpentan-3-amine?
The IUPAC name of N-ethyl-4-methyl-4-piperidin-1-yl-1-thiophen-3-ylpentan-3-amine (CID 79045793) is N-ethyl-4-methyl-4-piperidin-1-yl-1-thiophen-3-ylpentan-3-amine.
What is the SMILES notation for N-ethyl-4-methyl-4-piperidin-1-yl-1-thiophen-3-ylpentan-3-amine?
The canonical SMILES for N-ethyl-4-methyl-4-piperidin-1-yl-1-thiophen-3-ylpentan-3-amine is CCNC(CCc1ccsc1)C(C)(C)N1CCCCC1.
What is the InChIKey of N-ethyl-4-methyl-4-piperidin-1-yl-1-thiophen-3-ylpentan-3-amine?
The InChIKey is UPFYVJOCVYHVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2S/c1-4-18-16(9-8-15-10-13-20-14-15)17(2,3)19-11-6-5-7-12-19/h10,13-14,16,18H,4-9,11-12H2,1-3H3.
What are the key properties of N-ethyl-4-methyl-4-piperidin-1-yl-1-thiophen-3-ylpentan-3-amine?
N-ethyl-4-methyl-4-piperidin-1-yl-1-thiophen-3-ylpentan-3-amine has a molecular weight of 294.51 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-4-piperidin-1-yl-1-thiophen-3-ylpentan-3-amine is sourced from PubChem (CID 79045793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).