1-[(4-bromo-5-chlorothiophen-2-yl)methyl]piperidin-4-amine;hydrochloride

C10H15BrCl2N2S — CID 120834456

IUPAC1-[(4-bromo-5-chlorothiophen-2-yl)methyl]piperidin-4-amine;hydrochloride
SMILESCl.NC1CCN(Cc2cc(Br)c(Cl)s2)CC1
InChIInChI=1S/C10H14BrClN2S.ClH/c11-9-5-8(15-10(9)12)6-14-3-1-7(13)2-4-14;/h5,7H,1-4,6,13H2;1H
InChIKeyQDRSMDXEUQFUJC-UHFFFAOYSA-N
MW346.12 g/mol
LogP3.51
Rot. Bonds2

About 1-[(4-bromo-5-chlorothiophen-2-yl)methyl]piperidin-4-amine;hydrochloride

1-[(4-bromo-5-chlorothiophen-2-yl)methyl]piperidin-4-amine;hydrochloride (PubChem CID 120834456) has the molecular formula C10H15BrCl2N2S and a molecular weight of 346.12 g/mol. Its IUPAC name is 1-[(4-bromo-5-chlorothiophen-2-yl)methyl]piperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-[(4-bromo-5-chlorothiophen-2-yl)methyl]piperidin-4-amine;hydrochloride
PubChem CID120834456
Molecular FormulaC10H15BrCl2N2S
Molecular Weight346.12 g/mol
Exact Mass343.95
IUPAC Name1-[(4-bromo-5-chlorothiophen-2-yl)methyl]piperidin-4-amine;hydrochloride
SMILESCl.NC1CCN(Cc2cc(Br)c(Cl)s2)CC1
InChIInChI=1S/C10H14BrClN2S.ClH/c11-9-5-8(15-10(9)12)6-14-3-1-7(13)2-4-14;/h5,7H,1-4,6,13H2;1H
InChIKeyQDRSMDXEUQFUJC-UHFFFAOYSA-N
XLogP3.51
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.12
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(4-bromo-5-chlorothiophen-2-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120836308
1-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1,4-diazepane;hydrochloride
CID 120834301
3-[(4-bromo-5-chlorothiophen-2-yl)methyl]-3,9-diazabicyclo[3.3.1]nonane
CID 120845696
1-(thiophen-2-ylmethyl)piperidin-4-amine;dihydrochloride
CID 22748866
1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-amine
CID 103815288
1-[(5-chlorothiophen-2-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119917354
1-[(4-bromothiophen-2-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119917618
2-[4-[(4-bromo-5-chlorothiophen-2-yl)methylamino]piperidin-1-yl]acetamide
CID 102833952
1-[(4-bromo-5-methylthiophen-2-yl)methyl]-4-methylpiperidin-3-amine
CID 102841673
1-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-methylpiperazine
CID 120837065
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 102835162
1-[(4-bromo-5-chlorothiophen-2-yl)methyl]-5-methylpiperidine-3-carboxylic acid
CID 122125223

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-5-chlorothiophen-2-yl)methyl]piperidin-4-amine;hydrochloride?
The IUPAC name of 1-[(4-bromo-5-chlorothiophen-2-yl)methyl]piperidin-4-amine;hydrochloride (CID 120834456) is 1-[(4-bromo-5-chlorothiophen-2-yl)methyl]piperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-[(4-bromo-5-chlorothiophen-2-yl)methyl]piperidin-4-amine;hydrochloride?
The canonical SMILES for 1-[(4-bromo-5-chlorothiophen-2-yl)methyl]piperidin-4-amine;hydrochloride is Cl.NC1CCN(Cc2cc(Br)c(Cl)s2)CC1.
What is the InChIKey of 1-[(4-bromo-5-chlorothiophen-2-yl)methyl]piperidin-4-amine;hydrochloride?
The InChIKey is QDRSMDXEUQFUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrClN2S.ClH/c11-9-5-8(15-10(9)12)6-14-3-1-7(13)2-4-14;/h5,7H,1-4,6,13H2;1H.
What are the key properties of 1-[(4-bromo-5-chlorothiophen-2-yl)methyl]piperidin-4-amine;hydrochloride?
1-[(4-bromo-5-chlorothiophen-2-yl)methyl]piperidin-4-amine;hydrochloride has a molecular weight of 346.12 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-5-chlorothiophen-2-yl)methyl]piperidin-4-amine;hydrochloride is sourced from PubChem (CID 120834456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).