N-[(Z)-4-methyl-1-piperidin-4-ylpent-2-en-3-yl]-4-(trifluoromethoxy)aniline

C18H25F3N2O — CID 176921145

IUPACN-[(Z)-4-methyl-1-piperidin-4-ylpent-2-en-3-yl]-4-(trifluoromethoxy)aniline
SMILESCC(C)/C(=C/CC1CCNCC1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H25F3N2O/c1-13(2)17(8-3-14-9-11-22-12-10-14)23-15-4-6-16(7-5-15)24-18(19,20)21/h4-8,13-14,22-23H,3,9-12H2,1-2H3/b17-8-
InChIKeyAIWFNKZTWOVXHD-IUXPMGMMSA-N
MW342.41 g/mol
LogP4.93
Rot. Bonds6

About N-[(Z)-4-methyl-1-piperidin-4-ylpent-2-en-3-yl]-4-(trifluoromethoxy)aniline

N-[(Z)-4-methyl-1-piperidin-4-ylpent-2-en-3-yl]-4-(trifluoromethoxy)aniline (PubChem CID 176921145) has the molecular formula C18H25F3N2O and a molecular weight of 342.41 g/mol. Its IUPAC name is N-[(Z)-4-methyl-1-piperidin-4-ylpent-2-en-3-yl]-4-(trifluoromethoxy)aniline.

Molecular Properties

Compound NameN-[(Z)-4-methyl-1-piperidin-4-ylpent-2-en-3-yl]-4-(trifluoromethoxy)aniline
PubChem CID176921145
Molecular FormulaC18H25F3N2O
Molecular Weight342.41 g/mol
Exact Mass342.19
IUPAC NameN-[(Z)-4-methyl-1-piperidin-4-ylpent-2-en-3-yl]-4-(trifluoromethoxy)aniline
SMILESCC(C)/C(=C/CC1CCNCC1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H25F3N2O/c1-13(2)17(8-3-14-9-11-22-12-10-14)23-15-4-6-16(7-5-15)24-18(19,20)21/h4-8,13-14,22-23H,3,9-12H2,1-2H3/b17-8-
InChIKeyAIWFNKZTWOVXHD-IUXPMGMMSA-N
XLogP4.93
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-piperidin-3-yl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 62689337
N-[4-[(S)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]phenyl]acetamide
CID 171291188
pyrrolidin-3-yl N-[4-(trifluoromethoxy)phenyl]carbamate
CID 115565228
acetylene;ethane;4-methylpiperidine;1-[(Z)-2-propan-2-ylhex-2-enoxy]-4-(trifluoromethoxy)benzene
CID 176922158
N-[4-[(S)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]phenyl]acetamide;dihydrochloride
CID 171291189
2-(cyclopropylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 60842957
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 110019704
N-methyl-N-(piperidin-4-ylmethyl)-4-[[4-(trifluoromethoxy)phenyl]methoxy]aniline
CID 141351591
(2S)-2-chloro-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 2304863
2-(4-methylpiperidin-1-ium-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 7266495
(3S)-3-methyl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 104976383
N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine
CID 43607736

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-4-methyl-1-piperidin-4-ylpent-2-en-3-yl]-4-(trifluoromethoxy)aniline?
The IUPAC name of N-[(Z)-4-methyl-1-piperidin-4-ylpent-2-en-3-yl]-4-(trifluoromethoxy)aniline (CID 176921145) is N-[(Z)-4-methyl-1-piperidin-4-ylpent-2-en-3-yl]-4-(trifluoromethoxy)aniline.
What is the SMILES notation for N-[(Z)-4-methyl-1-piperidin-4-ylpent-2-en-3-yl]-4-(trifluoromethoxy)aniline?
The canonical SMILES for N-[(Z)-4-methyl-1-piperidin-4-ylpent-2-en-3-yl]-4-(trifluoromethoxy)aniline is CC(C)/C(=C/CC1CCNCC1)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[(Z)-4-methyl-1-piperidin-4-ylpent-2-en-3-yl]-4-(trifluoromethoxy)aniline?
The InChIKey is AIWFNKZTWOVXHD-IUXPMGMMSA-N. The full InChI is InChI=1S/C18H25F3N2O/c1-13(2)17(8-3-14-9-11-22-12-10-14)23-15-4-6-16(7-5-15)24-18(19,20)21/h4-8,13-14,22-23H,3,9-12H2,1-2H3/b17-8-.
What are the key properties of N-[(Z)-4-methyl-1-piperidin-4-ylpent-2-en-3-yl]-4-(trifluoromethoxy)aniline?
N-[(Z)-4-methyl-1-piperidin-4-ylpent-2-en-3-yl]-4-(trifluoromethoxy)aniline has a molecular weight of 342.41 g/mol, XLogP of 4.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-4-methyl-1-piperidin-4-ylpent-2-en-3-yl]-4-(trifluoromethoxy)aniline is sourced from PubChem (CID 176921145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).