1-[1-[(2-chlorothiophen-3-yl)methyl]piperidin-2-yl]ethanamine

C12H19ClN2S — CID 120897041

IUPAC1-[1-[(2-chlorothiophen-3-yl)methyl]piperidin-2-yl]ethanamine
SMILESCC(N)C1CCCCN1Cc1ccsc1Cl
InChIInChI=1S/C12H19ClN2S/c1-9(14)11-4-2-3-6-15(11)8-10-5-7-16-12(10)13/h5,7,9,11H,2-4,6,8,14H2,1H3
InChIKeyBYYIYJBZYLSVAB-UHFFFAOYSA-N
MW258.82 g/mol
LogP3.10
Rot. Bonds3

About 1-[1-[(2-chlorothiophen-3-yl)methyl]piperidin-2-yl]ethanamine

1-[1-[(2-chlorothiophen-3-yl)methyl]piperidin-2-yl]ethanamine (PubChem CID 120897041) has the molecular formula C12H19ClN2S and a molecular weight of 258.82 g/mol. Its IUPAC name is 1-[1-[(2-chlorothiophen-3-yl)methyl]piperidin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(2-chlorothiophen-3-yl)methyl]piperidin-2-yl]ethanamine
PubChem CID120897041
Molecular FormulaC12H19ClN2S
Molecular Weight258.82 g/mol
Exact Mass258.10
IUPAC Name1-[1-[(2-chlorothiophen-3-yl)methyl]piperidin-2-yl]ethanamine
SMILESCC(N)C1CCCCN1Cc1ccsc1Cl
InChIInChI=1S/C12H19ClN2S/c1-9(14)11-4-2-3-6-15(11)8-10-5-7-16-12(10)13/h5,7,9,11H,2-4,6,8,14H2,1H3
InChIKeyBYYIYJBZYLSVAB-UHFFFAOYSA-N
XLogP3.10
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.82
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-2-yl]ethanamine
CID 106865562
1-[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]ethanamine
CID 55168005
2-[[2-(1-aminoethyl)piperidin-1-yl]methyl]-4-chlorophenol
CID 63254307
4-[[2-(1-aminoethyl)piperidin-1-yl]methyl]phenol
CID 63254190
1-[1-[(2,4-dimethylphenyl)methyl]piperidin-2-yl]ethanamine
CID 63254150
1-[1-[(5-bromo-2-fluorophenyl)methyl]piperidin-2-yl]ethanamine
CID 55170113
1-[1-[(2,5-dimethylphenyl)methyl]piperidin-2-yl]ethanamine;hydrochloride
CID 119911372
1-[1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-2-yl]ethanamine
CID 55168778
1-[1-[(5-methylthiophen-2-yl)methyl]piperidin-2-yl]ethanamine
CID 63254745
1-[1-[(6-chloro-3-pyridinyl)methyl]piperidin-2-yl]ethanamine
CID 55167435
3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]-4-fluorobenzonitrile
CID 63256041
1-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]ethanamine
CID 63254456

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-chlorothiophen-3-yl)methyl]piperidin-2-yl]ethanamine?
The IUPAC name of 1-[1-[(2-chlorothiophen-3-yl)methyl]piperidin-2-yl]ethanamine (CID 120897041) is 1-[1-[(2-chlorothiophen-3-yl)methyl]piperidin-2-yl]ethanamine.
What is the SMILES notation for 1-[1-[(2-chlorothiophen-3-yl)methyl]piperidin-2-yl]ethanamine?
The canonical SMILES for 1-[1-[(2-chlorothiophen-3-yl)methyl]piperidin-2-yl]ethanamine is CC(N)C1CCCCN1Cc1ccsc1Cl.
What is the InChIKey of 1-[1-[(2-chlorothiophen-3-yl)methyl]piperidin-2-yl]ethanamine?
The InChIKey is BYYIYJBZYLSVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2S/c1-9(14)11-4-2-3-6-15(11)8-10-5-7-16-12(10)13/h5,7,9,11H,2-4,6,8,14H2,1H3.
What are the key properties of 1-[1-[(2-chlorothiophen-3-yl)methyl]piperidin-2-yl]ethanamine?
1-[1-[(2-chlorothiophen-3-yl)methyl]piperidin-2-yl]ethanamine has a molecular weight of 258.82 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-chlorothiophen-3-yl)methyl]piperidin-2-yl]ethanamine is sourced from PubChem (CID 120897041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).