[(3S)-3-aminopiperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)phenyl]methanone;hydrochloride

C14H18ClF3N2O2 — CID 166451673

IUPAC[(3S)-3-aminopiperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)phenyl]methanone;hydrochloride
SMILESCl.N[C@H]1CCCN(C(=O)c2ccccc2OCC(F)(F)F)C1
InChIInChI=1S/C14H17F3N2O2.ClH/c15-14(16,17)9-21-12-6-2-1-5-11(12)13(20)19-7-3-4-10(18)8-19;/h1-2,5-6,10H,3-4,7-9,18H2;1H/t10-;/m0./s1
InChIKeyAGZPUKIHDOYYNE-PPHPATTJSA-N
MW338.76 g/mol
LogP2.61
Rot. Bonds3

About [(3S)-3-aminopiperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)phenyl]methanone;hydrochloride

[(3S)-3-aminopiperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)phenyl]methanone;hydrochloride (PubChem CID 166451673) has the molecular formula C14H18ClF3N2O2 and a molecular weight of 338.76 g/mol. Its IUPAC name is [(3S)-3-aminopiperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)phenyl]methanone;hydrochloride.

Molecular Properties

Compound Name[(3S)-3-aminopiperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)phenyl]methanone;hydrochloride
PubChem CID166451673
Molecular FormulaC14H18ClF3N2O2
Molecular Weight338.76 g/mol
Exact Mass338.10
IUPAC Name[(3S)-3-aminopiperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)phenyl]methanone;hydrochloride
SMILESCl.N[C@H]1CCCN(C(=O)c2ccccc2OCC(F)(F)F)C1
InChIInChI=1S/C14H17F3N2O2.ClH/c15-14(16,17)9-21-12-6-2-1-5-11(12)13(20)19-7-3-4-10(18)8-19;/h1-2,5-6,10H,3-4,7-9,18H2;1H/t10-;/m0./s1
InChIKeyAGZPUKIHDOYYNE-PPHPATTJSA-N
XLogP2.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.76
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminopiperidin-1-yl)-(2-prop-2-enoxyphenyl)methanone;hydrochloride
CID 119381620
(3-aminopiperidin-1-yl)-(2-methoxyphenyl)methanone;hydrochloride
CID 119381351
[(3S)-3-aminopiperidin-1-yl]-(2-methoxyphenyl)methanone
CID 129366272
2-(3-aminopiperidine-1-carbonyl)benzoic acid
CID 61403703
[(3R)-3-aminopyrrolidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119410283
(3-aminopiperidin-1-yl)-[2-(3-bromophenoxy)phenyl]methanone;hydrochloride
CID 119380458
[(3R)-3-aminopyrrolidin-1-yl]-[1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]methanone
CID 119409468
1-(3-aminopiperidin-1-yl)-2-(2-tert-butylphenoxy)ethanone
CID 119379721
1-(3-aminopiperidin-1-yl)-2-(2-methoxyphenoxy)ethanone;hydrochloride
CID 119377091
[(3R)-3-aminopyrrolidin-1-yl]-[2-[(4-chlorophenyl)methoxy]phenyl]methanone
CID 119411536
[3-(2-chloroethyl)piperidin-1-yl]-(2-ethoxyphenyl)methanone
CID 63395748
1-(3-aminopiperidin-1-yl)-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propan-1-one;hydrochloride
CID 119379360

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-aminopiperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)phenyl]methanone;hydrochloride?
The IUPAC name of [(3S)-3-aminopiperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)phenyl]methanone;hydrochloride (CID 166451673) is [(3S)-3-aminopiperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)phenyl]methanone;hydrochloride.
What is the SMILES notation for [(3S)-3-aminopiperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)phenyl]methanone;hydrochloride?
The canonical SMILES for [(3S)-3-aminopiperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)phenyl]methanone;hydrochloride is Cl.N[C@H]1CCCN(C(=O)c2ccccc2OCC(F)(F)F)C1.
What is the InChIKey of [(3S)-3-aminopiperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)phenyl]methanone;hydrochloride?
The InChIKey is AGZPUKIHDOYYNE-PPHPATTJSA-N. The full InChI is InChI=1S/C14H17F3N2O2.ClH/c15-14(16,17)9-21-12-6-2-1-5-11(12)13(20)19-7-3-4-10(18)8-19;/h1-2,5-6,10H,3-4,7-9,18H2;1H/t10-;/m0./s1.
What are the key properties of [(3S)-3-aminopiperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)phenyl]methanone;hydrochloride?
[(3S)-3-aminopiperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)phenyl]methanone;hydrochloride has a molecular weight of 338.76 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-aminopiperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)phenyl]methanone;hydrochloride is sourced from PubChem (CID 166451673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).