N,N-diethyl-2-piperazin-1-yl-2-thiophen-2-ylethanamine

C14H25N3S — CID 83979379

IUPACN,N-diethyl-2-piperazin-1-yl-2-thiophen-2-ylethanamine
SMILESCCN(CC)CC(c1cccs1)N1CCNCC1
InChIInChI=1S/C14H25N3S/c1-3-16(4-2)12-13(14-6-5-11-18-14)17-9-7-15-8-10-17/h5-6,11,13,15H,3-4,7-10,12H2,1-2H3
InChIKeyNQBYCQVWUFPZQB-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.04
Rot. Bonds6

About N,N-diethyl-2-piperazin-1-yl-2-thiophen-2-ylethanamine

N,N-diethyl-2-piperazin-1-yl-2-thiophen-2-ylethanamine (PubChem CID 83979379) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is N,N-diethyl-2-piperazin-1-yl-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-piperazin-1-yl-2-thiophen-2-ylethanamine
PubChem CID83979379
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC NameN,N-diethyl-2-piperazin-1-yl-2-thiophen-2-ylethanamine
SMILESCCN(CC)CC(c1cccs1)N1CCNCC1
InChIInChI=1S/C14H25N3S/c1-3-16(4-2)12-13(14-6-5-11-18-14)17-9-7-15-8-10-17/h5-6,11,13,15H,3-4,7-10,12H2,1-2H3
InChIKeyNQBYCQVWUFPZQB-UHFFFAOYSA-N
XLogP2.04
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1R)-4-methyl-1-thiophen-2-ylpentyl]piperazine
CID 171311169
1-[(1S)-1-thiophen-2-ylpentyl]piperazine
CID 171309479
2-piperazin-1-yl-2-thiophen-2-ylethanamine
CID 82078137
1-[(1R)-2-fluoro-1-thiophen-2-ylethyl]piperazine;dihydrochloride
CID 171294136
N,N-diethyl-2-piperazin-1-yl-2-pyridin-4-ylethanamine
CID 83980045
1-[(1R)-1-thiophen-2-ylpentyl]piperazine;dihydrochloride
CID 171308182
1-[(1R)-2-cyclopropyl-1-thiophen-2-ylethyl]piperazine
CID 171294145
2-(3-chlorophenyl)-N,N-diethyl-2-piperazin-1-ylethanamine
CID 83977802
1-[(1S)-2-cyclopropyl-1-thiophen-2-ylethyl]piperazine;dihydrochloride
CID 171281527
1-[(1R)-4,4,4-trifluoro-1-thiophen-2-ylbutyl]piperazine;dihydrochloride
CID 171303977
1-[1-(1-thiophen-2-ylpropyl)azetidin-3-yl]piperazine
CID 66202216
2-chloro-4-[2-(diethylamino)-1-piperazin-1-ylethyl]phenol
CID 83979656

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-piperazin-1-yl-2-thiophen-2-ylethanamine?
The IUPAC name of N,N-diethyl-2-piperazin-1-yl-2-thiophen-2-ylethanamine (CID 83979379) is N,N-diethyl-2-piperazin-1-yl-2-thiophen-2-ylethanamine.
What is the SMILES notation for N,N-diethyl-2-piperazin-1-yl-2-thiophen-2-ylethanamine?
The canonical SMILES for N,N-diethyl-2-piperazin-1-yl-2-thiophen-2-ylethanamine is CCN(CC)CC(c1cccs1)N1CCNCC1.
What is the InChIKey of N,N-diethyl-2-piperazin-1-yl-2-thiophen-2-ylethanamine?
The InChIKey is NQBYCQVWUFPZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-3-16(4-2)12-13(14-6-5-11-18-14)17-9-7-15-8-10-17/h5-6,11,13,15H,3-4,7-10,12H2,1-2H3.
What are the key properties of N,N-diethyl-2-piperazin-1-yl-2-thiophen-2-ylethanamine?
N,N-diethyl-2-piperazin-1-yl-2-thiophen-2-ylethanamine has a molecular weight of 267.44 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-piperazin-1-yl-2-thiophen-2-ylethanamine is sourced from PubChem (CID 83979379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).