(3-aminopiperidin-1-yl)-[5-(4-fluorophenyl)thiophen-2-yl]methanone;hydrochloride

C16H18ClFN2OS — CID 119377231

IUPAC(3-aminopiperidin-1-yl)-[5-(4-fluorophenyl)thiophen-2-yl]methanone;hydrochloride
SMILESCl.NC1CCCN(C(=O)c2ccc(-c3ccc(F)cc3)s2)C1
InChIInChI=1S/C16H17FN2OS.ClH/c17-12-5-3-11(4-6-12)14-7-8-15(21-14)16(20)19-9-1-2-13(18)10-19;/h3-8,13H,1-2,9-10,18H2;1H
InChIKeyGMWPVFXAEVXSKN-UHFFFAOYSA-N
MW340.85 g/mol
LogP3.54
Rot. Bonds2

About (3-aminopiperidin-1-yl)-[5-(4-fluorophenyl)thiophen-2-yl]methanone;hydrochloride

(3-aminopiperidin-1-yl)-[5-(4-fluorophenyl)thiophen-2-yl]methanone;hydrochloride (PubChem CID 119377231) has the molecular formula C16H18ClFN2OS and a molecular weight of 340.85 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-[5-(4-fluorophenyl)thiophen-2-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-[5-(4-fluorophenyl)thiophen-2-yl]methanone;hydrochloride
PubChem CID119377231
Molecular FormulaC16H18ClFN2OS
Molecular Weight340.85 g/mol
Exact Mass340.08
IUPAC Name(3-aminopiperidin-1-yl)-[5-(4-fluorophenyl)thiophen-2-yl]methanone;hydrochloride
SMILESCl.NC1CCCN(C(=O)c2ccc(-c3ccc(F)cc3)s2)C1
InChIInChI=1S/C16H17FN2OS.ClH/c17-12-5-3-11(4-6-12)14-7-8-15(21-14)16(20)19-9-1-2-13(18)10-19;/h3-8,13H,1-2,9-10,18H2;1H
InChIKeyGMWPVFXAEVXSKN-UHFFFAOYSA-N
XLogP3.54
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminopiperidin-1-yl)-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophen-2-yl]methanone;hydrochloride
CID 119381036
[5-(4-fluorophenyl)thiophen-2-yl]-[(4S)-4-methylazepan-1-yl]methanone
CID 97023625
(2R)-4-[5-(4-fluorophenyl)thiophene-2-carbonyl]morpholine-2-carboxylic acid
CID 124704099
[(3R)-3-aminopiperidin-1-yl]-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanone
CID 124593980
[4-(cyclopropylmethylamino)piperidin-1-yl]-[5-(4-fluorophenyl)thiophen-2-yl]methanone
CID 119621700
[(3S)-3-aminopyrrolidin-1-yl]-[5-(4-fluorophenyl)-4-methylthiophen-2-yl]methanone;hydrochloride
CID 119934470
[3-(aminomethyl)pyrrolidin-1-yl]-[5-(4-chlorophenyl)thiophen-2-yl]methanone
CID 119485306
(2R)-4-[5-(4-fluorophenyl)thiophene-2-carbonyl]morpholine-2-carbonitrile
CID 95150517
(3-aminopiperidin-1-yl)-(2,5-difluorophenyl)methanone;hydrochloride
CID 119378374
[5-(4-cyclohexylphenyl)thiophen-2-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 92760451
[(3R)-3-aminopiperidin-1-yl]-(2,6-difluorophenyl)methanone
CID 102978457
[(3R)-3-aminopiperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone
CID 102983529

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-[5-(4-fluorophenyl)thiophen-2-yl]methanone;hydrochloride?
The IUPAC name of (3-aminopiperidin-1-yl)-[5-(4-fluorophenyl)thiophen-2-yl]methanone;hydrochloride (CID 119377231) is (3-aminopiperidin-1-yl)-[5-(4-fluorophenyl)thiophen-2-yl]methanone;hydrochloride.
What is the SMILES notation for (3-aminopiperidin-1-yl)-[5-(4-fluorophenyl)thiophen-2-yl]methanone;hydrochloride?
The canonical SMILES for (3-aminopiperidin-1-yl)-[5-(4-fluorophenyl)thiophen-2-yl]methanone;hydrochloride is Cl.NC1CCCN(C(=O)c2ccc(-c3ccc(F)cc3)s2)C1.
What is the InChIKey of (3-aminopiperidin-1-yl)-[5-(4-fluorophenyl)thiophen-2-yl]methanone;hydrochloride?
The InChIKey is GMWPVFXAEVXSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2OS.ClH/c17-12-5-3-11(4-6-12)14-7-8-15(21-14)16(20)19-9-1-2-13(18)10-19;/h3-8,13H,1-2,9-10,18H2;1H.
What are the key properties of (3-aminopiperidin-1-yl)-[5-(4-fluorophenyl)thiophen-2-yl]methanone;hydrochloride?
(3-aminopiperidin-1-yl)-[5-(4-fluorophenyl)thiophen-2-yl]methanone;hydrochloride has a molecular weight of 340.85 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-[5-(4-fluorophenyl)thiophen-2-yl]methanone;hydrochloride is sourced from PubChem (CID 119377231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).