[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone

C18H23F3N2O — CID 125146300

IUPAC[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone
SMILESC[C@H](N)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C18H23F3N2O/c1-11(22)13-3-2-8-23(10-13)17(24)16-9-15(16)12-4-6-14(7-5-12)18(19,20)21/h4-7,11,13,15-16H,2-3,8-10,22H2,1H3/t11-,13+,15+,16-/m0/s1
InChIKeyHKOALVJCYLDVSO-ZCDTZLGTSA-N
MW340.39 g/mol
LogP3.39
Rot. Bonds3

About [(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone

[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone (PubChem CID 125146300) has the molecular formula C18H23F3N2O and a molecular weight of 340.39 g/mol. Its IUPAC name is [(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone.

Molecular Properties

Compound Name[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone
PubChem CID125146300
Molecular FormulaC18H23F3N2O
Molecular Weight340.39 g/mol
Exact Mass340.18
IUPAC Name[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone
SMILESC[C@H](N)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C18H23F3N2O/c1-11(22)13-3-2-8-23(10-13)17(24)16-9-15(16)12-4-6-14(7-5-12)18(19,20)21/h4-7,11,13,15-16H,2-3,8-10,22H2,1H3/t11-,13+,15+,16-/m0/s1
InChIKeyHKOALVJCYLDVSO-ZCDTZLGTSA-N
XLogP3.39
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone with MolForge

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Related Compounds

[(3S)-3-aminopyrrolidin-1-yl]-[(1S,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 124698676
[(3S)-3-aminopyrrolidin-1-yl]-[(1R,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 124702790
[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[(1S,2S)-2-(3-chlorophenyl)cyclopropyl]methanone
CID 125146800
[3-(1-aminoethyl)piperidin-1-yl]-[2-(2-chloro-6-fluorophenyl)cyclopropyl]methanone
CID 119596306
[4-(1-aminoethyl)piperidin-1-yl]-[2-(4-fluorophenyl)cyclopropyl]methanone
CID 119516884
[4-(1-aminoethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone;hydrochloride
CID 119518806
[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[(1R,2S)-2-(2,3-dichlorophenyl)cyclopropyl]methanone
CID 124691738
[3-(1-aminoethyl)piperidin-1-yl]-[2-(2,4-dichlorophenyl)cyclopropyl]methanone
CID 119593050
[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-[(1R,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 124779499
[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-[2-fluoro-5-(trifluoromethyl)phenyl]methanone
CID 100639344
[3-(1-aminoethyl)piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone;hydrochloride
CID 119594333
[3-(1-aminoethyl)piperidin-1-yl]-[3,5-bis(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119594442

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone?
The IUPAC name of [(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone (CID 125146300) is [(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone.
What is the SMILES notation for [(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone?
The canonical SMILES for [(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone is C[C@H](N)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of [(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone?
The InChIKey is HKOALVJCYLDVSO-ZCDTZLGTSA-N. The full InChI is InChI=1S/C18H23F3N2O/c1-11(22)13-3-2-8-23(10-13)17(24)16-9-15(16)12-4-6-14(7-5-12)18(19,20)21/h4-7,11,13,15-16H,2-3,8-10,22H2,1H3/t11-,13+,15+,16-/m0/s1.
What are the key properties of [(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone?
[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone has a molecular weight of 340.39 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone is sourced from PubChem (CID 125146300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).