[2-(aminomethyl)piperidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone;hydrochloride

C11H15Cl3N2OS — CID 119467676

IUPAC[2-(aminomethyl)piperidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone;hydrochloride
SMILESCl.NCC1CCCCN1C(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H14Cl2N2OS.ClH/c12-9-5-8(10(13)17-9)11(16)15-4-2-1-3-7(15)6-14;/h5,7H,1-4,6,14H2;1H
InChIKeyIOHHHKQITQWQLI-UHFFFAOYSA-N
MW329.68 g/mol
LogP3.43
Rot. Bonds2

About [2-(aminomethyl)piperidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone;hydrochloride

[2-(aminomethyl)piperidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone;hydrochloride (PubChem CID 119467676) has the molecular formula C11H15Cl3N2OS and a molecular weight of 329.68 g/mol. Its IUPAC name is [2-(aminomethyl)piperidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[2-(aminomethyl)piperidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone;hydrochloride
PubChem CID119467676
Molecular FormulaC11H15Cl3N2OS
Molecular Weight329.68 g/mol
Exact Mass328.00
IUPAC Name[2-(aminomethyl)piperidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone;hydrochloride
SMILESCl.NCC1CCCCN1C(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H14Cl2N2OS.ClH/c12-9-5-8(10(13)17-9)11(16)15-4-2-1-3-7(15)6-14;/h5,7H,1-4,6,14H2;1H
InChIKeyIOHHHKQITQWQLI-UHFFFAOYSA-N
XLogP3.43
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.68
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(chloromethyl)piperidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone
CID 107965848
3-amino-N-[[1-(2,5-dichlorothiophene-3-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579762
2-[1-(2,5-dichlorothiophene-3-carbonyl)pyrrolidin-2-yl]acetic acid
CID 114020976
[2-(aminomethyl)piperidin-1-yl]-(2-chloro-4,5-difluorophenyl)methanone;hydrochloride
CID 119468475
[2-(aminomethyl)piperidin-1-yl]-(2,4-dichloro-5-fluorophenyl)methanone;hydrochloride
CID 119466333
[2-(aminomethyl)piperidin-1-yl]-(2-bromo-5-chlorophenyl)methanone;hydrochloride
CID 119469020
[2-(aminomethyl)pyrrolidin-1-yl]-(2-chlorophenyl)methanone
CID 81482963
(2,5-dichlorothiophen-3-yl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95603586
[2-(aminomethyl)piperidin-1-yl]-(4,5-dimethylthiophen-2-yl)methanone;hydrochloride
CID 119467051
[2-(aminomethyl)piperidin-1-yl]-(2-methylphenyl)methanone;hydrochloride
CID 119466148
[2-(aminomethyl)pyrrolidin-1-yl]-(4-chloro-2-fluorophenyl)methanone;hydrochloride
CID 119631398
[(2R)-2-(aminomethyl)piperidin-1-yl]-(4-chloro-3-methylphenyl)methanone
CID 124576129

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)piperidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone;hydrochloride?
The IUPAC name of [2-(aminomethyl)piperidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone;hydrochloride (CID 119467676) is [2-(aminomethyl)piperidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone;hydrochloride.
What is the SMILES notation for [2-(aminomethyl)piperidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone;hydrochloride?
The canonical SMILES for [2-(aminomethyl)piperidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone;hydrochloride is Cl.NCC1CCCCN1C(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of [2-(aminomethyl)piperidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone;hydrochloride?
The InChIKey is IOHHHKQITQWQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2OS.ClH/c12-9-5-8(10(13)17-9)11(16)15-4-2-1-3-7(15)6-14;/h5,7H,1-4,6,14H2;1H.
What are the key properties of [2-(aminomethyl)piperidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone;hydrochloride?
[2-(aminomethyl)piperidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone;hydrochloride has a molecular weight of 329.68 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)piperidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone;hydrochloride is sourced from PubChem (CID 119467676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).