(4-amino-3,3-dimethylpiperidin-1-yl)-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]methanone;hydrochloride

C19H22ClF3N2O2S — CID 120818353

IUPAC(4-amino-3,3-dimethylpiperidin-1-yl)-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]methanone;hydrochloride
SMILESCC1(C)CN(C(=O)c2ccc(-c3ccc(OC(F)(F)F)cc3)s2)CCC1N.Cl
InChIInChI=1S/C19H21F3N2O2S.ClH/c1-18(2)11-24(10-9-16(18)23)17(25)15-8-7-14(27-15)12-3-5-13(6-4-12)26-19(20,21)22;/h3-8,16H,9-11,23H2,1-2H3;1H
InChIKeySZFAEKXXKPTTME-UHFFFAOYSA-N
MW434.91 g/mol
LogP4.93
Rot. Bonds3

About (4-amino-3,3-dimethylpiperidin-1-yl)-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]methanone;hydrochloride

(4-amino-3,3-dimethylpiperidin-1-yl)-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]methanone;hydrochloride (PubChem CID 120818353) has the molecular formula C19H22ClF3N2O2S and a molecular weight of 434.91 g/mol. Its IUPAC name is (4-amino-3,3-dimethylpiperidin-1-yl)-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(4-amino-3,3-dimethylpiperidin-1-yl)-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]methanone;hydrochloride
PubChem CID120818353
Molecular FormulaC19H22ClF3N2O2S
Molecular Weight434.91 g/mol
Exact Mass434.10
IUPAC Name(4-amino-3,3-dimethylpiperidin-1-yl)-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]methanone;hydrochloride
SMILESCC1(C)CN(C(=O)c2ccc(-c3ccc(OC(F)(F)F)cc3)s2)CCC1N.Cl
InChIInChI=1S/C19H21F3N2O2S.ClH/c1-18(2)11-24(10-9-16(18)23)17(25)15-8-7-14(27-15)12-3-5-13(6-4-12)26-19(20,21)22;/h3-8,16H,9-11,23H2,1-2H3;1H
InChIKeySZFAEKXXKPTTME-UHFFFAOYSA-N
XLogP4.93
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.91
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1-aminoethyl)piperidin-1-yl]-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]methanone
CID 119517623
[3-(methylaminomethyl)pyrrolidin-1-yl]-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]methanone
CID 119539267
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone
CID 114267652
(4-amino-3,3-dimethylpiperidin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]methanone
CID 120816382
N-methyl-N-piperidin-4-yl-5-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide;hydrochloride
CID 119441884
(4-amino-3,3-dimethylpiperidin-1-yl)-[2-fluoro-4-(4-methoxyphenyl)phenyl]methanone;hydrochloride
CID 120816531
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide;hydrochloride
CID 120774148
(4-amino-3,3-dimethylpiperidin-1-yl)-[2-fluoro-4-(4-methoxyphenyl)phenyl]methanone
CID 120816532
N-[2-[5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)thiophen-2-yl]ethyl]methanesulfonamide;hydrochloride
CID 120819420
(4-amino-3,3-dimethylpiperidin-1-yl)-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanone;hydrochloride
CID 120814399
(4-amino-3,3-dimethylpiperidin-1-yl)-phenylmethanone;hydrochloride
CID 120815405
N-(1-aminopropan-2-yl)-N-methyl-5-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide
CID 119582143

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]methanone;hydrochloride?
The IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]methanone;hydrochloride (CID 120818353) is (4-amino-3,3-dimethylpiperidin-1-yl)-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]methanone;hydrochloride.
What is the SMILES notation for (4-amino-3,3-dimethylpiperidin-1-yl)-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]methanone;hydrochloride?
The canonical SMILES for (4-amino-3,3-dimethylpiperidin-1-yl)-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]methanone;hydrochloride is CC1(C)CN(C(=O)c2ccc(-c3ccc(OC(F)(F)F)cc3)s2)CCC1N.Cl.
What is the InChIKey of (4-amino-3,3-dimethylpiperidin-1-yl)-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]methanone;hydrochloride?
The InChIKey is SZFAEKXXKPTTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O2S.ClH/c1-18(2)11-24(10-9-16(18)23)17(25)15-8-7-14(27-15)12-3-5-13(6-4-12)26-19(20,21)22;/h3-8,16H,9-11,23H2,1-2H3;1H.
What are the key properties of (4-amino-3,3-dimethylpiperidin-1-yl)-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]methanone;hydrochloride?
(4-amino-3,3-dimethylpiperidin-1-yl)-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]methanone;hydrochloride has a molecular weight of 434.91 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,3-dimethylpiperidin-1-yl)-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]methanone;hydrochloride is sourced from PubChem (CID 120818353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).