[2-(aminomethyl)piperidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methanone;dihydrochloride

C16H20Cl2FN3OS — CID 119468293

IUPAC[2-(aminomethyl)piperidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methanone;dihydrochloride
SMILESCl.Cl.NCC1CCCCN1C(=O)c1cnc(-c2ccccc2F)s1
InChIInChI=1S/C16H18FN3OS.2ClH/c17-13-7-2-1-6-12(13)15-19-10-14(22-15)16(21)20-8-4-3-5-11(20)9-18;;/h1-2,6-7,10-11H,3-5,8-9,18H2;2*1H
InChIKeyFALRCSMDWQVBDK-UHFFFAOYSA-N
MW392.33 g/mol
LogP3.75
Rot. Bonds3

About [2-(aminomethyl)piperidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methanone;dihydrochloride

[2-(aminomethyl)piperidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methanone;dihydrochloride (PubChem CID 119468293) has the molecular formula C16H20Cl2FN3OS and a molecular weight of 392.33 g/mol. Its IUPAC name is [2-(aminomethyl)piperidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name[2-(aminomethyl)piperidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methanone;dihydrochloride
PubChem CID119468293
Molecular FormulaC16H20Cl2FN3OS
Molecular Weight392.33 g/mol
Exact Mass391.07
IUPAC Name[2-(aminomethyl)piperidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methanone;dihydrochloride
SMILESCl.Cl.NCC1CCCCN1C(=O)c1cnc(-c2ccccc2F)s1
InChIInChI=1S/C16H18FN3OS.2ClH/c17-13-7-2-1-6-12(13)15-19-10-14(22-15)16(21)20-8-4-3-5-11(20)9-18;;/h1-2,6-7,10-11H,3-5,8-9,18H2;2*1H
InChIKeyFALRCSMDWQVBDK-UHFFFAOYSA-N
XLogP3.75
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.33
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1-aminoethyl)piperidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methanone;dihydrochloride
CID 119436403
[2-(aminomethyl)pyrrolidin-1-yl]-(2-pyridin-4-yl-1,3-thiazol-5-yl)methanone
CID 119631252
[(4aR,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methanone
CID 95583496
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-[5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 118426768
(3S,6R)-1-[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]-6-methylpiperidine-3-carboxamide
CID 95583565
3-amino-N-[[1-(2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride
CID 120578002
1-[2-(aminomethyl)piperidin-1-yl]-3-(2-fluorophenoxy)propan-1-one;hydrochloride
CID 119467095
[2-(aminomethyl)pyrrolidin-1-yl]-[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 119632194
(3S)-4-[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]morpholine-3-carboxylic acid
CID 125119525
3-[(3S)-1-[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]piperidin-3-yl]propanoic acid
CID 124700912
1-[2-(aminomethyl)piperidin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 119468063
[2-(aminomethyl)piperidin-1-yl]-(2-methylphenyl)methanone;hydrochloride
CID 119466148

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)piperidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methanone;dihydrochloride?
The IUPAC name of [2-(aminomethyl)piperidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methanone;dihydrochloride (CID 119468293) is [2-(aminomethyl)piperidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methanone;dihydrochloride.
What is the SMILES notation for [2-(aminomethyl)piperidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methanone;dihydrochloride?
The canonical SMILES for [2-(aminomethyl)piperidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methanone;dihydrochloride is Cl.Cl.NCC1CCCCN1C(=O)c1cnc(-c2ccccc2F)s1.
What is the InChIKey of [2-(aminomethyl)piperidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methanone;dihydrochloride?
The InChIKey is FALRCSMDWQVBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3OS.2ClH/c17-13-7-2-1-6-12(13)15-19-10-14(22-15)16(21)20-8-4-3-5-11(20)9-18;;/h1-2,6-7,10-11H,3-5,8-9,18H2;2*1H.
What are the key properties of [2-(aminomethyl)piperidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methanone;dihydrochloride?
[2-(aminomethyl)piperidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methanone;dihydrochloride has a molecular weight of 392.33 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)piperidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methanone;dihydrochloride is sourced from PubChem (CID 119468293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).