2-pyridin-2-yl-3-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanal

C18H19F3N4O — CID 174705787

IUPAC2-pyridin-2-yl-3-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanal
SMILESO=CC(CN1CCN(c2cc(C(F)(F)F)ccn2)CC1)c1ccccn1
InChIInChI=1S/C18H19F3N4O/c19-18(20,21)15-4-6-23-17(11-15)25-9-7-24(8-10-25)12-14(13-26)16-3-1-2-5-22-16/h1-6,11,13-14H,7-10,12H2
InChIKeyRTSSPOARGOBWSO-UHFFFAOYSA-N
MW364.37 g/mol
LogP2.60
Rot. Bonds5

About 2-pyridin-2-yl-3-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanal

2-pyridin-2-yl-3-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanal (PubChem CID 174705787) has the molecular formula C18H19F3N4O and a molecular weight of 364.37 g/mol. Its IUPAC name is 2-pyridin-2-yl-3-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanal.

Molecular Properties

Compound Name2-pyridin-2-yl-3-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanal
PubChem CID174705787
Molecular FormulaC18H19F3N4O
Molecular Weight364.37 g/mol
Exact Mass364.15
IUPAC Name2-pyridin-2-yl-3-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanal
SMILESO=CC(CN1CCN(c2cc(C(F)(F)F)ccn2)CC1)c1ccccn1
InChIInChI=1S/C18H19F3N4O/c19-18(20,21)15-4-6-23-17(11-15)25-9-7-24(8-10-25)12-14(13-26)16-3-1-2-5-22-16/h1-6,11,13-14H,7-10,12H2
InChIKeyRTSSPOARGOBWSO-UHFFFAOYSA-N
XLogP2.60
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetic acid
CID 66329032
2-[2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-3H-isoindol-1-one
CID 10293758
1-(2-methoxyethyl)-4-[4-(trifluoromethyl)-2-pyridinyl]piperazine
CID 133369766
1-but-3-ynyl-4-[4-(trifluoromethyl)-2-pyridinyl]piperazine
CID 133453652
N-[2-(trifluoromethyl)phenyl]-2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 133358312
1-pyridin-2-yl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 763101
1-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 110452554
(2S)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine
CID 22689446
N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-5-(trifluoromethyl)pyridin-2-amine
CID 133307275
4-[4-(trifluoromethyl)-2-pyridinyl]thiomorpholine
CID 121020750
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 3236086
3,3,3-trifluoro-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]propanethioamide
CID 103368489

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-3-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanal?
The IUPAC name of 2-pyridin-2-yl-3-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanal (CID 174705787) is 2-pyridin-2-yl-3-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanal.
What is the SMILES notation for 2-pyridin-2-yl-3-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanal?
The canonical SMILES for 2-pyridin-2-yl-3-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanal is O=CC(CN1CCN(c2cc(C(F)(F)F)ccn2)CC1)c1ccccn1.
What is the InChIKey of 2-pyridin-2-yl-3-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanal?
The InChIKey is RTSSPOARGOBWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O/c19-18(20,21)15-4-6-23-17(11-15)25-9-7-24(8-10-25)12-14(13-26)16-3-1-2-5-22-16/h1-6,11,13-14H,7-10,12H2.
What are the key properties of 2-pyridin-2-yl-3-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanal?
2-pyridin-2-yl-3-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanal has a molecular weight of 364.37 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-3-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanal is sourced from PubChem (CID 174705787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).