1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethanone

C19H25F3N2O3 — CID 119622438

IUPAC1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethanone
SMILESO=C(COc1ccccc1OCC(F)(F)F)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C19H25F3N2O3/c20-19(21,22)13-27-17-4-2-1-3-16(17)26-12-18(25)24-9-7-15(8-10-24)23-11-14-5-6-14/h1-4,14-15,23H,5-13H2
InChIKeyCTNZYGFSAOSROF-UHFFFAOYSA-N
MW386.41 g/mol
LogP3.00
Rot. Bonds8

About 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethanone

1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethanone (PubChem CID 119622438) has the molecular formula C19H25F3N2O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethanone.

Molecular Properties

Compound Name1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethanone
PubChem CID119622438
Molecular FormulaC19H25F3N2O3
Molecular Weight386.41 g/mol
Exact Mass386.18
IUPAC Name1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethanone
SMILESO=C(COc1ccccc1OCC(F)(F)F)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C19H25F3N2O3/c20-19(21,22)13-27-17-4-2-1-3-16(17)26-12-18(25)24-9-7-15(8-10-24)23-11-14-5-6-14/h1-4,14-15,23H,5-13H2
InChIKeyCTNZYGFSAOSROF-UHFFFAOYSA-N
XLogP3.00
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethanone
CID 124611313
[4-(cyclopropylmethylamino)piperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone;dihydrochloride
CID 119625204
1-[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone
CID 119624305
1-(4-ethylpiperazin-1-yl)-2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethanone
CID 56824387
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone;hydrochloride
CID 119624635
N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-2,2,2-trifluoroacetamide
CID 108548705
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2,4-dichlorophenoxy)ethanone;hydrochloride
CID 119621544
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2,5-dichlorophenoxy)ethanone;hydrochloride
CID 119621657
2-(4-chloro-2-methylphenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone
CID 119621572
2-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenoxy]acetamide
CID 119625161
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)ethanone
CID 119622613
2-(5-chloroquinolin-8-yl)oxy-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone
CID 119622234

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethanone?
The IUPAC name of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethanone (CID 119622438) is 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethanone.
What is the SMILES notation for 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethanone?
The canonical SMILES for 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethanone is O=C(COc1ccccc1OCC(F)(F)F)N1CCC(NCC2CC2)CC1.
What is the InChIKey of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethanone?
The InChIKey is CTNZYGFSAOSROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N2O3/c20-19(21,22)13-27-17-4-2-1-3-16(17)26-12-18(25)24-9-7-15(8-10-24)23-11-14-5-6-14/h1-4,14-15,23H,5-13H2.
What are the key properties of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethanone?
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethanone has a molecular weight of 386.41 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethanone is sourced from PubChem (CID 119622438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).