1-[1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-4-yl]ethanamine;hydrochloride

C12H19Cl3N2S — CID 120838225

IUPAC1-[1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-4-yl]ethanamine;hydrochloride
SMILESCC(N)C1CCN(Cc2csc(Cl)c2Cl)CC1.Cl
InChIInChI=1S/C12H18Cl2N2S.ClH/c1-8(15)9-2-4-16(5-3-9)6-10-7-17-12(14)11(10)13;/h7-9H,2-6,15H2,1H3;1H
InChIKeyUCIRCCRDISWVJP-UHFFFAOYSA-N
MW329.72 g/mol
LogP4.04
Rot. Bonds3

About 1-[1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-4-yl]ethanamine;hydrochloride

1-[1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-4-yl]ethanamine;hydrochloride (PubChem CID 120838225) has the molecular formula C12H19Cl3N2S and a molecular weight of 329.72 g/mol. Its IUPAC name is 1-[1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-4-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-4-yl]ethanamine;hydrochloride
PubChem CID120838225
Molecular FormulaC12H19Cl3N2S
Molecular Weight329.72 g/mol
Exact Mass328.03
IUPAC Name1-[1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-4-yl]ethanamine;hydrochloride
SMILESCC(N)C1CCN(Cc2csc(Cl)c2Cl)CC1.Cl
InChIInChI=1S/C12H18Cl2N2S.ClH/c1-8(15)9-2-4-16(5-3-9)6-10-7-17-12(14)11(10)13;/h7-9H,2-6,15H2,1H3;1H
InChIKeyUCIRCCRDISWVJP-UHFFFAOYSA-N
XLogP4.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.72
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-4-yl]ethanamine
CID 120838226
1-[(4,5-dichlorothiophen-3-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120837575
1-[1-[(2,5-dichlorophenyl)methyl]piperidin-4-yl]ethanamine;hydrochloride
CID 119920676
1-[(4,5-dichlorothiophen-3-yl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120847183
1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethanamine
CID 63596526
1-[1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-yl]ethanamine
CID 103815438
1-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]ethanamine
CID 114851225
1-[1-[(4-bromothiophen-2-yl)methyl]piperidin-4-yl]ethanamine
CID 63594782
[1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-3-yl]methanamine;hydrochloride
CID 120836829
1-[1-[(4,5-dichlorothiophen-3-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 120838588
1-[1-[(2-chloro-6-ethylphenyl)methyl]piperidin-4-yl]ethanamine
CID 120838218
(3S)-1-[(4,5-dichlorothiophen-3-yl)methyl]-3-methylpiperazine;hydrochloride
CID 120845881

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-4-yl]ethanamine;hydrochloride?
The IUPAC name of 1-[1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-4-yl]ethanamine;hydrochloride (CID 120838225) is 1-[1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-4-yl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-4-yl]ethanamine;hydrochloride?
The canonical SMILES for 1-[1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-4-yl]ethanamine;hydrochloride is CC(N)C1CCN(Cc2csc(Cl)c2Cl)CC1.Cl.
What is the InChIKey of 1-[1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-4-yl]ethanamine;hydrochloride?
The InChIKey is UCIRCCRDISWVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N2S.ClH/c1-8(15)9-2-4-16(5-3-9)6-10-7-17-12(14)11(10)13;/h7-9H,2-6,15H2,1H3;1H.
What are the key properties of 1-[1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-4-yl]ethanamine;hydrochloride?
1-[1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-4-yl]ethanamine;hydrochloride has a molecular weight of 329.72 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-4-yl]ethanamine;hydrochloride is sourced from PubChem (CID 120838225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).