methane;1-(3-piperidin-1-ylpropyl)-4-[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperazine

C25H35F3N4 — CID 157275894

IUPACmethane;1-(3-piperidin-1-ylpropyl)-4-[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperazine
SMILESC.FC(F)(F)c1ccc(-c2ccc(N3CCN(CCCN4CCCCC4)CC3)nc2)cc1
InChIInChI=1S/C24H31F3N4.CH4/c25-24(26,27)22-8-5-20(6-9-22)21-7-10-23(28-19-21)31-17-15-30(16-18-31)14-4-13-29-11-2-1-3-12-29;/h5-10,19H,1-4,11-18H2;1H4
InChIKeyAZCCJSAZEUUUGB-UHFFFAOYSA-N
MW448.58 g/mol
LogP5.40
Rot. Bonds6

About methane;1-(3-piperidin-1-ylpropyl)-4-[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperazine

methane;1-(3-piperidin-1-ylpropyl)-4-[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperazine (PubChem CID 157275894) has the molecular formula C25H35F3N4 and a molecular weight of 448.58 g/mol. Its IUPAC name is methane;1-(3-piperidin-1-ylpropyl)-4-[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperazine.

Molecular Properties

Compound Namemethane;1-(3-piperidin-1-ylpropyl)-4-[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperazine
PubChem CID157275894
Molecular FormulaC25H35F3N4
Molecular Weight448.58 g/mol
Exact Mass448.28
IUPAC Namemethane;1-(3-piperidin-1-ylpropyl)-4-[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperazine
SMILESC.FC(F)(F)c1ccc(-c2ccc(N3CCN(CCCN4CCCCC4)CC3)nc2)cc1
InChIInChI=1S/C24H31F3N4.CH4/c25-24(26,27)22-8-5-20(6-9-22)21-7-10-23(28-19-21)31-17-15-30(16-18-31)14-4-13-29-11-2-1-3-12-29;/h5-10,19H,1-4,11-18H2;1H4
InChIKeyAZCCJSAZEUUUGB-UHFFFAOYSA-N
XLogP5.40
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.58
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyethyl)-4-[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperazine
CID 15951455
1-[4-[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperazin-1-yl]propan-2-one
CID 58006657
3-piperidin-1-yl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine
CID 165433334
N,N-dimethyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanamine
CID 174557120
1-[3-(benzenesulfonyl)propyl]-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane
CID 55826774
6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]hexan-3-one
CID 91252320
3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide
CID 38559713
1-(azepan-1-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 78788182
3,7-dimethyl-1-[3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]purine-2,6-dione
CID 43052568
1-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 829355
3-piperidin-1-yl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]propan-1-amine
CID 58788403
1-(2-pyrazol-1-ylethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 47521346

Frequently Asked Questions

What is the IUPAC name of methane;1-(3-piperidin-1-ylpropyl)-4-[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperazine?
The IUPAC name of methane;1-(3-piperidin-1-ylpropyl)-4-[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperazine (CID 157275894) is methane;1-(3-piperidin-1-ylpropyl)-4-[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperazine.
What is the SMILES notation for methane;1-(3-piperidin-1-ylpropyl)-4-[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperazine?
The canonical SMILES for methane;1-(3-piperidin-1-ylpropyl)-4-[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperazine is C.FC(F)(F)c1ccc(-c2ccc(N3CCN(CCCN4CCCCC4)CC3)nc2)cc1.
What is the InChIKey of methane;1-(3-piperidin-1-ylpropyl)-4-[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperazine?
The InChIKey is AZCCJSAZEUUUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31F3N4.CH4/c25-24(26,27)22-8-5-20(6-9-22)21-7-10-23(28-19-21)31-17-15-30(16-18-31)14-4-13-29-11-2-1-3-12-29;/h5-10,19H,1-4,11-18H2;1H4.
What are the key properties of methane;1-(3-piperidin-1-ylpropyl)-4-[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperazine?
methane;1-(3-piperidin-1-ylpropyl)-4-[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperazine has a molecular weight of 448.58 g/mol, XLogP of 5.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-(3-piperidin-1-ylpropyl)-4-[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperazine is sourced from PubChem (CID 157275894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).