[4-(cyclopropylmethylamino)piperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone;dihydrochloride

C17H24Cl2F3N3O2 — CID 119625204

IUPAC[4-(cyclopropylmethylamino)piperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone;dihydrochloride
SMILESCl.Cl.O=C(c1cccnc1OCC(F)(F)F)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C17H22F3N3O2.2ClH/c18-17(19,20)11-25-15-14(2-1-7-21-15)16(24)23-8-5-13(6-9-23)22-10-12-3-4-12;;/h1-2,7,12-13,22H,3-6,8-11H2;2*1H
InChIKeyDKQFEGQYEWDRTF-UHFFFAOYSA-N
MW430.30 g/mol
LogP3.47
Rot. Bonds6

About [4-(cyclopropylmethylamino)piperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone;dihydrochloride

[4-(cyclopropylmethylamino)piperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone;dihydrochloride (PubChem CID 119625204) has the molecular formula C17H24Cl2F3N3O2 and a molecular weight of 430.30 g/mol. Its IUPAC name is [4-(cyclopropylmethylamino)piperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone;dihydrochloride.

Molecular Properties

Compound Name[4-(cyclopropylmethylamino)piperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone;dihydrochloride
PubChem CID119625204
Molecular FormulaC17H24Cl2F3N3O2
Molecular Weight430.30 g/mol
Exact Mass429.12
IUPAC Name[4-(cyclopropylmethylamino)piperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone;dihydrochloride
SMILESCl.Cl.O=C(c1cccnc1OCC(F)(F)F)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C17H22F3N3O2.2ClH/c18-17(19,20)11-25-15-14(2-1-7-21-15)16(24)23-8-5-13(6-9-23)22-10-12-3-4-12;;/h1-2,7,12-13,22H,3-6,8-11H2;2*1H
InChIKeyDKQFEGQYEWDRTF-UHFFFAOYSA-N
XLogP3.47
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.30
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(cyclopropylmethylamino)piperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone;dihydrochloride with MolForge

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Related Compounds

[3-(methylamino)piperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone;dihydrochloride
CID 119493478
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethanone
CID 119622438
[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone
CID 46479086
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-ethylphenyl)methanone
CID 115307122
(2-chlorophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 81297532
[2-(cyclopropylmethoxy)phenyl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
CID 119623869
N-(1-propan-2-ylpiperidin-4-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 47024234
2-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenoxy]acetamide
CID 119625161
[4-(cyclopropylmethylamino)piperidin-1-yl]-quinolin-6-ylmethanone
CID 119624681
[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone
CID 95789013
N-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-6-methylphenyl]pyridine-4-carboxamide;dihydrochloride
CID 119622893
(5-chloro-2-fluorophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
CID 119624175

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylmethylamino)piperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone;dihydrochloride?
The IUPAC name of [4-(cyclopropylmethylamino)piperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone;dihydrochloride (CID 119625204) is [4-(cyclopropylmethylamino)piperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone;dihydrochloride.
What is the SMILES notation for [4-(cyclopropylmethylamino)piperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone;dihydrochloride?
The canonical SMILES for [4-(cyclopropylmethylamino)piperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone;dihydrochloride is Cl.Cl.O=C(c1cccnc1OCC(F)(F)F)N1CCC(NCC2CC2)CC1.
What is the InChIKey of [4-(cyclopropylmethylamino)piperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone;dihydrochloride?
The InChIKey is DKQFEGQYEWDRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N3O2.2ClH/c18-17(19,20)11-25-15-14(2-1-7-21-15)16(24)23-8-5-13(6-9-23)22-10-12-3-4-12;;/h1-2,7,12-13,22H,3-6,8-11H2;2*1H.
What are the key properties of [4-(cyclopropylmethylamino)piperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone;dihydrochloride?
[4-(cyclopropylmethylamino)piperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone;dihydrochloride has a molecular weight of 430.30 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylmethylamino)piperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone;dihydrochloride is sourced from PubChem (CID 119625204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).