[1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-2-yl]methanamine

C11H16Cl2N2S — CID 120836976

IUPAC[1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-2-yl]methanamine
SMILESNCC1CCCCN1Cc1csc(Cl)c1Cl
InChIInChI=1S/C11H16Cl2N2S/c12-10-8(7-16-11(10)13)6-15-4-2-1-3-9(15)5-14/h7,9H,1-6,14H2
InChIKeyKZSZBAWRSUFMBK-UHFFFAOYSA-N
MW279.24 g/mol
LogP3.37
Rot. Bonds3

About [1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-2-yl]methanamine

[1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-2-yl]methanamine (PubChem CID 120836976) has the molecular formula C11H16Cl2N2S and a molecular weight of 279.24 g/mol. Its IUPAC name is [1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-2-yl]methanamine
PubChem CID120836976
Molecular FormulaC11H16Cl2N2S
Molecular Weight279.24 g/mol
Exact Mass278.04
IUPAC Name[1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-2-yl]methanamine
SMILESNCC1CCCCN1Cc1csc(Cl)c1Cl
InChIInChI=1S/C11H16Cl2N2S/c12-10-8(7-16-11(10)13)6-15-4-2-1-3-9(15)5-14/h7,9H,1-6,14H2
InChIKeyKZSZBAWRSUFMBK-UHFFFAOYSA-N
XLogP3.37
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.24
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(2-chlorophenyl)methyl]piperidin-2-yl]methanamine
CID 43187060
[(2S)-1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]methanamine
CID 86329767
[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methanamine
CID 23074040
[(2S)-1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]methanamine
CID 29080623
[1-[(4-bromophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916130
[1-[(4-fluorophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916113
[1-[(6-chloropyridazin-3-yl)methyl]piperidin-2-yl]methanamine
CID 71644496
1-[1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-4-yl]ethanamine;hydrochloride
CID 120838225
2-[1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120846304
[1-[(2,5-dimethylphenyl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916076
1-[1-[(2-chlorothiophen-3-yl)methyl]piperidin-2-yl]ethanamine
CID 120897041
[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]methanamine
CID 83089134

Frequently Asked Questions

What is the IUPAC name of [1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-2-yl]methanamine?
The IUPAC name of [1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-2-yl]methanamine (CID 120836976) is [1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-2-yl]methanamine.
What is the SMILES notation for [1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-2-yl]methanamine?
The canonical SMILES for [1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-2-yl]methanamine is NCC1CCCCN1Cc1csc(Cl)c1Cl.
What is the InChIKey of [1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-2-yl]methanamine?
The InChIKey is KZSZBAWRSUFMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2S/c12-10-8(7-16-11(10)13)6-15-4-2-1-3-9(15)5-14/h7,9H,1-6,14H2.
What are the key properties of [1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-2-yl]methanamine?
[1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-2-yl]methanamine has a molecular weight of 279.24 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-2-yl]methanamine is sourced from PubChem (CID 120836976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).