N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine

C16H27ClN2S — CID 43692479

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine
SMILESCCCN1CCC(C(C)NC(C)c2ccc(Cl)s2)CC1
InChIInChI=1S/C16H27ClN2S/c1-4-9-19-10-7-14(8-11-19)12(2)18-13(3)15-5-6-16(17)20-15/h5-6,12-14,18H,4,7-11H2,1-3H3
InChIKeyZOIFYVNXYDGNSE-UHFFFAOYSA-N
MW314.93 g/mol
LogP4.56
Rot. Bonds6

About N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine

N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine (PubChem CID 43692479) has the molecular formula C16H27ClN2S and a molecular weight of 314.93 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine
PubChem CID43692479
Molecular FormulaC16H27ClN2S
Molecular Weight314.93 g/mol
Exact Mass314.16
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine
SMILESCCCN1CCC(C(C)NC(C)c2ccc(Cl)s2)CC1
InChIInChI=1S/C16H27ClN2S/c1-4-9-19-10-7-14(8-11-19)12(2)18-13(3)15-5-6-16(17)20-15/h5-6,12-14,18H,4,7-11H2,1-3H3
InChIKeyZOIFYVNXYDGNSE-UHFFFAOYSA-N
XLogP4.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.93
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(4-chlorophenyl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine
CID 81349354
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 43692476
1-(1-ethylpiperidin-4-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
CID 61473504
1-(1-propylpiperidin-4-yl)-N-[(1S)-1-pyridin-4-ylethyl]ethanamine
CID 81405583
N-[(1R)-1-(furan-2-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine
CID 81403845
2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]-1-thiophen-2-ylpropan-1-amine
CID 43722952
1-(5-chlorothiophen-2-yl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 43692517
2-[1-(1-propylpiperidin-4-yl)ethylamino]propan-1-ol
CID 43499437
N-[1-(5-chlorothiophen-2-yl)ethyl]pentan-2-amine
CID 43438933
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-ethylazepan-4-amine
CID 65074018
1-(1-propylpiperidin-4-yl)-N-(1-pyridin-3-ylethyl)ethanamine
CID 43308271
3-[1-[1-(1-propylpiperidin-4-yl)ethylamino]ethyl]phenol
CID 43748462

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine (CID 43692479) is N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine is CCCN1CCC(C(C)NC(C)c2ccc(Cl)s2)CC1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine?
The InChIKey is ZOIFYVNXYDGNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN2S/c1-4-9-19-10-7-14(8-11-19)12(2)18-13(3)15-5-6-16(17)20-15/h5-6,12-14,18H,4,7-11H2,1-3H3.
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine?
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine has a molecular weight of 314.93 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine is sourced from PubChem (CID 43692479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).