[2-(aminomethyl)piperidin-1-yl]-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone;dihydrochloride

C18H25Cl2N3O3S — CID 119469672

IUPAC[2-(aminomethyl)piperidin-1-yl]-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone;dihydrochloride
SMILESCOc1cc(C(=O)N2CCCCC2CN)ccc1OCc1cscn1.Cl.Cl
InChIInChI=1S/C18H23N3O3S.2ClH/c1-23-17-8-13(18(22)21-7-3-2-4-15(21)9-19)5-6-16(17)24-10-14-11-25-12-20-14;;/h5-6,8,11-12,15H,2-4,7,9-10,19H2,1H3;2*1H
InChIKeyOOIZEXBXBWRFFV-UHFFFAOYSA-N
MW434.39 g/mol
LogP3.53
Rot. Bonds6

About [2-(aminomethyl)piperidin-1-yl]-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone;dihydrochloride

[2-(aminomethyl)piperidin-1-yl]-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone;dihydrochloride (PubChem CID 119469672) has the molecular formula C18H25Cl2N3O3S and a molecular weight of 434.39 g/mol. Its IUPAC name is [2-(aminomethyl)piperidin-1-yl]-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone;dihydrochloride.

Molecular Properties

Compound Name[2-(aminomethyl)piperidin-1-yl]-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone;dihydrochloride
PubChem CID119469672
Molecular FormulaC18H25Cl2N3O3S
Molecular Weight434.39 g/mol
Exact Mass433.10
IUPAC Name[2-(aminomethyl)piperidin-1-yl]-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone;dihydrochloride
SMILESCOc1cc(C(=O)N2CCCCC2CN)ccc1OCc1cscn1.Cl.Cl
InChIInChI=1S/C18H23N3O3S.2ClH/c1-23-17-8-13(18(22)21-7-3-2-4-15(21)9-19)5-6-16(17)24-10-14-11-25-12-20-14;;/h5-6,8,11-12,15H,2-4,7,9-10,19H2,1H3;2*1H
InChIKeyOOIZEXBXBWRFFV-UHFFFAOYSA-N
XLogP3.53
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.39
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(aminomethyl)piperidin-1-yl]-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone;dihydrochloride with MolForge

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Related Compounds

[2-(aminomethyl)piperidin-1-yl]-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
CID 119469673
[(2S)-2-(aminomethyl)piperidin-1-yl]-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone
CID 125146266
[2-(aminomethyl)pyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 63753428
[2-(aminomethyl)piperidin-1-yl]-(4-cyclopentyloxy-3-methoxyphenyl)methanone;hydrochloride
CID 119467821
[2-(aminomethyl)piperidin-1-yl]-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone;hydrochloride
CID 119468928
[2-(aminomethyl)piperidin-1-yl]-(3,4-dipropoxyphenyl)methanone;hydrochloride
CID 119469137
[2-(aminomethyl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone;hydrochloride
CID 119468153
[2-(aminomethyl)pyrrolidin-1-yl]-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methanone
CID 119634307
(4-amino-3,3-dimethylpiperidin-1-yl)-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
CID 120813913
(4-methoxyphenyl)-[4-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]methanone
CID 37435693
[2-(aminomethyl)pyrrolidin-1-yl]-(4-butoxy-3-methoxyphenyl)methanone
CID 119632890
1,4-diazepan-1-yl-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
CID 119418599

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)piperidin-1-yl]-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone;dihydrochloride?
The IUPAC name of [2-(aminomethyl)piperidin-1-yl]-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone;dihydrochloride (CID 119469672) is [2-(aminomethyl)piperidin-1-yl]-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone;dihydrochloride.
What is the SMILES notation for [2-(aminomethyl)piperidin-1-yl]-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone;dihydrochloride?
The canonical SMILES for [2-(aminomethyl)piperidin-1-yl]-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone;dihydrochloride is COc1cc(C(=O)N2CCCCC2CN)ccc1OCc1cscn1.Cl.Cl.
What is the InChIKey of [2-(aminomethyl)piperidin-1-yl]-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone;dihydrochloride?
The InChIKey is OOIZEXBXBWRFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S.2ClH/c1-23-17-8-13(18(22)21-7-3-2-4-15(21)9-19)5-6-16(17)24-10-14-11-25-12-20-14;;/h5-6,8,11-12,15H,2-4,7,9-10,19H2,1H3;2*1H.
What are the key properties of [2-(aminomethyl)piperidin-1-yl]-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone;dihydrochloride?
[2-(aminomethyl)piperidin-1-yl]-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone;dihydrochloride has a molecular weight of 434.39 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)piperidin-1-yl]-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone;dihydrochloride is sourced from PubChem (CID 119469672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).