N-[1-(5-ethylthiophen-2-yl)ethyl]-N-(piperidin-4-ylmethyl)propan-1-amine

C17H30N2S — CID 79715260

IUPACN-[1-(5-ethylthiophen-2-yl)ethyl]-N-(piperidin-4-ylmethyl)propan-1-amine
SMILESCCCN(CC1CCNCC1)C(C)c1ccc(CC)s1
InChIInChI=1S/C17H30N2S/c1-4-12-19(13-15-8-10-18-11-9-15)14(3)17-7-6-16(5-2)20-17/h6-7,14-15,18H,4-5,8-13H2,1-3H3
InChIKeyYIJQTNXCPMJTRT-UHFFFAOYSA-N
MW294.51 g/mol
LogP4.08
Rot. Bonds7

About N-[1-(5-ethylthiophen-2-yl)ethyl]-N-(piperidin-4-ylmethyl)propan-1-amine

N-[1-(5-ethylthiophen-2-yl)ethyl]-N-(piperidin-4-ylmethyl)propan-1-amine (PubChem CID 79715260) has the molecular formula C17H30N2S and a molecular weight of 294.51 g/mol. Its IUPAC name is N-[1-(5-ethylthiophen-2-yl)ethyl]-N-(piperidin-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-[1-(5-ethylthiophen-2-yl)ethyl]-N-(piperidin-4-ylmethyl)propan-1-amine
PubChem CID79715260
Molecular FormulaC17H30N2S
Molecular Weight294.51 g/mol
Exact Mass294.21
IUPAC NameN-[1-(5-ethylthiophen-2-yl)ethyl]-N-(piperidin-4-ylmethyl)propan-1-amine
SMILESCCCN(CC1CCNCC1)C(C)c1ccc(CC)s1
InChIInChI=1S/C17H30N2S/c1-4-12-19(13-15-8-10-18-11-9-15)14(3)17-7-6-16(5-2)20-17/h6-7,14-15,18H,4-5,8-13H2,1-3H3
InChIKeyYIJQTNXCPMJTRT-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[piperidin-4-ylmethyl(propyl)amino]ethyl]phenol
CID 79715840
2-methyl-N-(piperidin-4-ylmethyl)-N-propyl-1-thiophen-2-ylpropan-1-amine
CID 79715760
N-[1-(3,4-dichlorophenyl)ethyl]-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79697530
4-[1-[piperidin-4-ylmethyl(propyl)amino]ethyl]benzene-1,3-diol
CID 79696967
N-[(5-ethylthiophen-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine
CID 79708057
N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605605
N-[1-(5-ethylthiophen-2-yl)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61333588
N-[1-(5-methylthiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623202
N-[1-(5-bromothiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623215
1-(4-bromothiophen-2-yl)-N-ethyl-N-(piperidin-4-ylmethyl)ethanamine
CID 107355045
N-(piperidin-4-ylmethyl)-N-propylnonan-2-amine
CID 79715186
N-[1-(5-ethylthiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106622235

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-ethylthiophen-2-yl)ethyl]-N-(piperidin-4-ylmethyl)propan-1-amine?
The IUPAC name of N-[1-(5-ethylthiophen-2-yl)ethyl]-N-(piperidin-4-ylmethyl)propan-1-amine (CID 79715260) is N-[1-(5-ethylthiophen-2-yl)ethyl]-N-(piperidin-4-ylmethyl)propan-1-amine.
What is the SMILES notation for N-[1-(5-ethylthiophen-2-yl)ethyl]-N-(piperidin-4-ylmethyl)propan-1-amine?
The canonical SMILES for N-[1-(5-ethylthiophen-2-yl)ethyl]-N-(piperidin-4-ylmethyl)propan-1-amine is CCCN(CC1CCNCC1)C(C)c1ccc(CC)s1.
What is the InChIKey of N-[1-(5-ethylthiophen-2-yl)ethyl]-N-(piperidin-4-ylmethyl)propan-1-amine?
The InChIKey is YIJQTNXCPMJTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2S/c1-4-12-19(13-15-8-10-18-11-9-15)14(3)17-7-6-16(5-2)20-17/h6-7,14-15,18H,4-5,8-13H2,1-3H3.
What are the key properties of N-[1-(5-ethylthiophen-2-yl)ethyl]-N-(piperidin-4-ylmethyl)propan-1-amine?
N-[1-(5-ethylthiophen-2-yl)ethyl]-N-(piperidin-4-ylmethyl)propan-1-amine has a molecular weight of 294.51 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-ethylthiophen-2-yl)ethyl]-N-(piperidin-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 79715260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).