[3-(1-aminoethyl)piperidin-1-yl]-(5-chlorothiophen-2-yl)methanone;hydrochloride

C12H18Cl2N2OS — CID 119596426

IUPAC[3-(1-aminoethyl)piperidin-1-yl]-(5-chlorothiophen-2-yl)methanone;hydrochloride
SMILESCC(N)C1CCCN(C(=O)c2ccc(Cl)s2)C1.Cl
InChIInChI=1S/C12H17ClN2OS.ClH/c1-8(14)9-3-2-6-15(7-9)12(16)10-4-5-11(13)17-10;/h4-5,8-9H,2-3,6-7,14H2,1H3;1H
InChIKeyWEPDCABVKVOFPO-UHFFFAOYSA-N
MW309.26 g/mol
LogP3.02
Rot. Bonds2

About [3-(1-aminoethyl)piperidin-1-yl]-(5-chlorothiophen-2-yl)methanone;hydrochloride

[3-(1-aminoethyl)piperidin-1-yl]-(5-chlorothiophen-2-yl)methanone;hydrochloride (PubChem CID 119596426) has the molecular formula C12H18Cl2N2OS and a molecular weight of 309.26 g/mol. Its IUPAC name is [3-(1-aminoethyl)piperidin-1-yl]-(5-chlorothiophen-2-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[3-(1-aminoethyl)piperidin-1-yl]-(5-chlorothiophen-2-yl)methanone;hydrochloride
PubChem CID119596426
Molecular FormulaC12H18Cl2N2OS
Molecular Weight309.26 g/mol
Exact Mass308.05
IUPAC Name[3-(1-aminoethyl)piperidin-1-yl]-(5-chlorothiophen-2-yl)methanone;hydrochloride
SMILESCC(N)C1CCCN(C(=O)c2ccc(Cl)s2)C1.Cl
InChIInChI=1S/C12H17ClN2OS.ClH/c1-8(14)9-3-2-6-15(7-9)12(16)10-4-5-11(13)17-10;/h4-5,8-9H,2-3,6-7,14H2,1H3;1H
InChIKeyWEPDCABVKVOFPO-UHFFFAOYSA-N
XLogP3.02
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.26
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorothiophene-2-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 91953871
[3-(1-aminoethyl)piperidin-1-yl]-[5-(benzenesulfonyl)thiophen-2-yl]methanone;hydrochloride
CID 119593130
[3-(1-aminoethyl)piperidin-1-yl]-(4,5-dibromothiophen-2-yl)methanone
CID 80537476
[3-(1-aminoethyl)piperidin-1-yl]-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone;hydrochloride
CID 119593805
(5-chlorothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 128961505
[3-(1-aminoethyl)piperidin-1-yl]-(5-chloro-2-pyridinyl)methanone;dihydrochloride
CID 119594677
[3-(1-aminoethyl)piperidin-1-yl]-(4-iodophenyl)methanone;hydrochloride
CID 119592641
[(3R)-3-aminopyrrolidin-1-yl]-(5-chlorothiophen-2-yl)methanone
CID 81468886
(4-amino-3-methylpiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone
CID 79879754
[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-(2-pyridin-4-yl-1,3-thiazol-5-yl)methanone
CID 125135338
(5-chlorothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119563647
[3-(1-aminoethyl)piperidin-1-yl]-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone;dihydrochloride
CID 119595537

Frequently Asked Questions

What is the IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-(5-chlorothiophen-2-yl)methanone;hydrochloride?
The IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-(5-chlorothiophen-2-yl)methanone;hydrochloride (CID 119596426) is [3-(1-aminoethyl)piperidin-1-yl]-(5-chlorothiophen-2-yl)methanone;hydrochloride.
What is the SMILES notation for [3-(1-aminoethyl)piperidin-1-yl]-(5-chlorothiophen-2-yl)methanone;hydrochloride?
The canonical SMILES for [3-(1-aminoethyl)piperidin-1-yl]-(5-chlorothiophen-2-yl)methanone;hydrochloride is CC(N)C1CCCN(C(=O)c2ccc(Cl)s2)C1.Cl.
What is the InChIKey of [3-(1-aminoethyl)piperidin-1-yl]-(5-chlorothiophen-2-yl)methanone;hydrochloride?
The InChIKey is WEPDCABVKVOFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2OS.ClH/c1-8(14)9-3-2-6-15(7-9)12(16)10-4-5-11(13)17-10;/h4-5,8-9H,2-3,6-7,14H2,1H3;1H.
What are the key properties of [3-(1-aminoethyl)piperidin-1-yl]-(5-chlorothiophen-2-yl)methanone;hydrochloride?
[3-(1-aminoethyl)piperidin-1-yl]-(5-chlorothiophen-2-yl)methanone;hydrochloride has a molecular weight of 309.26 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-aminoethyl)piperidin-1-yl]-(5-chlorothiophen-2-yl)methanone;hydrochloride is sourced from PubChem (CID 119596426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).