N-[1-(4-bromothiophen-2-yl)ethyl]-1-ethylpiperidin-4-amine

C13H21BrN2S — CID 107167172

IUPACN-[1-(4-bromothiophen-2-yl)ethyl]-1-ethylpiperidin-4-amine
SMILESCCN1CCC(NC(C)c2cc(Br)cs2)CC1
InChIInChI=1S/C13H21BrN2S/c1-3-16-6-4-12(5-7-16)15-10(2)13-8-11(14)9-17-13/h8-10,12,15H,3-7H2,1-2H3
InChIKeyPMPDPNKFRTYVCQ-UHFFFAOYSA-N
MW317.30 g/mol
LogP3.65
Rot. Bonds4

About N-[1-(4-bromothiophen-2-yl)ethyl]-1-ethylpiperidin-4-amine

N-[1-(4-bromothiophen-2-yl)ethyl]-1-ethylpiperidin-4-amine (PubChem CID 107167172) has the molecular formula C13H21BrN2S and a molecular weight of 317.30 g/mol. Its IUPAC name is N-[1-(4-bromothiophen-2-yl)ethyl]-1-ethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[1-(4-bromothiophen-2-yl)ethyl]-1-ethylpiperidin-4-amine
PubChem CID107167172
Molecular FormulaC13H21BrN2S
Molecular Weight317.30 g/mol
Exact Mass316.06
IUPAC NameN-[1-(4-bromothiophen-2-yl)ethyl]-1-ethylpiperidin-4-amine
SMILESCCN1CCC(NC(C)c2cc(Br)cs2)CC1
InChIInChI=1S/C13H21BrN2S/c1-3-16-6-4-12(5-7-16)15-10(2)13-8-11(14)9-17-13/h8-10,12,15H,3-7H2,1-2H3
InChIKeyPMPDPNKFRTYVCQ-UHFFFAOYSA-N
XLogP3.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-bromothiophen-2-yl)ethyl]cyclopropanamine
CID 107167098
N-[1-(4-bromothiophen-2-yl)ethyl]thian-4-amine
CID 107167565
N-[1-(4-bromothiophen-2-yl)ethyl]oxan-4-amine
CID 107167286
N-[1-(4-bromothiophen-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 107167232
N-[1-(2-bromo-4-fluorophenyl)ethyl]-1-ethylpiperidin-4-amine
CID 103776164
N-[1-(4-bromothiophen-2-yl)ethyl]-2,2-diethyloxan-4-amine
CID 107167625
2-(4-bromothiophen-2-yl)-2-(4-ethylpiperazin-1-yl)ethanamine
CID 43123646
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-ethylazepan-4-amine
CID 65074018
(1S)-1-(4-bromothiophen-2-yl)-N-methylethanamine
CID 95366093
N-[1-(4-bromothiophen-2-yl)ethyl]-1,1-dioxothian-3-amine
CID 107167577
1-(4-bromothiophen-2-yl)-2-(cyclopropylamino)propan-1-ol
CID 82307094
1-(4-bromothiophen-2-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine
CID 107354247

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromothiophen-2-yl)ethyl]-1-ethylpiperidin-4-amine?
The IUPAC name of N-[1-(4-bromothiophen-2-yl)ethyl]-1-ethylpiperidin-4-amine (CID 107167172) is N-[1-(4-bromothiophen-2-yl)ethyl]-1-ethylpiperidin-4-amine.
What is the SMILES notation for N-[1-(4-bromothiophen-2-yl)ethyl]-1-ethylpiperidin-4-amine?
The canonical SMILES for N-[1-(4-bromothiophen-2-yl)ethyl]-1-ethylpiperidin-4-amine is CCN1CCC(NC(C)c2cc(Br)cs2)CC1.
What is the InChIKey of N-[1-(4-bromothiophen-2-yl)ethyl]-1-ethylpiperidin-4-amine?
The InChIKey is PMPDPNKFRTYVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2S/c1-3-16-6-4-12(5-7-16)15-10(2)13-8-11(14)9-17-13/h8-10,12,15H,3-7H2,1-2H3.
What are the key properties of N-[1-(4-bromothiophen-2-yl)ethyl]-1-ethylpiperidin-4-amine?
N-[1-(4-bromothiophen-2-yl)ethyl]-1-ethylpiperidin-4-amine has a molecular weight of 317.30 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromothiophen-2-yl)ethyl]-1-ethylpiperidin-4-amine is sourced from PubChem (CID 107167172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).