N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methyl-3-piperidin-1-ylpropan-1-amine

C15H25ClN2S — CID 54906711

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]-2-methyl-3-piperidin-1-ylpropan-1-amine
SMILESCC(CNC(C)c1ccc(Cl)s1)CN1CCCCC1
InChIInChI=1S/C15H25ClN2S/c1-12(11-18-8-4-3-5-9-18)10-17-13(2)14-6-7-15(16)19-14/h6-7,12-13,17H,3-5,8-11H2,1-2H3
InChIKeyUVIYTWJTIWRZNC-UHFFFAOYSA-N
MW300.90 g/mol
LogP4.17
Rot. Bonds6

About N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methyl-3-piperidin-1-ylpropan-1-amine

N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methyl-3-piperidin-1-ylpropan-1-amine (PubChem CID 54906711) has the molecular formula C15H25ClN2S and a molecular weight of 300.90 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methyl-3-piperidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]-2-methyl-3-piperidin-1-ylpropan-1-amine
PubChem CID54906711
Molecular FormulaC15H25ClN2S
Molecular Weight300.90 g/mol
Exact Mass300.14
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]-2-methyl-3-piperidin-1-ylpropan-1-amine
SMILESCC(CNC(C)c1ccc(Cl)s1)CN1CCCCC1
InChIInChI=1S/C15H25ClN2S/c1-12(11-18-8-4-3-5-9-18)10-17-13(2)14-6-7-15(16)19-14/h6-7,12-13,17H,3-5,8-11H2,1-2H3
InChIKeyUVIYTWJTIWRZNC-UHFFFAOYSA-N
XLogP4.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.90
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 62993891
1-(azepan-1-yl)-2-[1-(5-chlorothiophen-2-yl)ethylamino]ethanone
CID 54938054
N-[1-(3-chlorophenyl)ethyl]-2-methyl-3-piperidin-1-ylpropan-1-amine
CID 61019279
1-(5-chlorothiophen-2-yl)-2-piperidin-1-ylethanamine
CID 82294536
N-[1-(5-chlorothiophen-2-yl)ethyl]-2,3,3-trimethylbutan-1-amine
CID 83141725
N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 62993549
N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 82773345
1-(5-chlorothiophen-2-yl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 43692517
1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-cyclohexyloxypropan-2-ol
CID 61469543
1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-ethylpentan-2-ol
CID 103783012
1-(5-chlorothiophen-2-yl)-N-[(1-methylcyclopentyl)methyl]ethanamine
CID 63822376
2-methyl-N-[1-(3-methylpyrazin-2-yl)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 102612483

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methyl-3-piperidin-1-ylpropan-1-amine?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methyl-3-piperidin-1-ylpropan-1-amine (CID 54906711) is N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methyl-3-piperidin-1-ylpropan-1-amine.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methyl-3-piperidin-1-ylpropan-1-amine?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methyl-3-piperidin-1-ylpropan-1-amine is CC(CNC(C)c1ccc(Cl)s1)CN1CCCCC1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methyl-3-piperidin-1-ylpropan-1-amine?
The InChIKey is UVIYTWJTIWRZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2S/c1-12(11-18-8-4-3-5-9-18)10-17-13(2)14-6-7-15(16)19-14/h6-7,12-13,17H,3-5,8-11H2,1-2H3.
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methyl-3-piperidin-1-ylpropan-1-amine?
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methyl-3-piperidin-1-ylpropan-1-amine has a molecular weight of 300.90 g/mol, XLogP of 4.17, 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]-2-methyl-3-piperidin-1-ylpropan-1-amine is sourced from PubChem (CID 54906711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).