1-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine

C24H34F3N5 — CID 45171055

IUPAC1-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESCCCn1ncc(CN2CCCC(N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)c1C
InChIInChI=1S/C24H34F3N5/c1-3-9-32-19(2)20(16-28-32)17-29-10-5-8-23(18-29)31-13-11-30(12-14-31)22-7-4-6-21(15-22)24(25,26)27/h4,6-7,15-16,23H,3,5,8-14,17-18H2,1-2H3
InChIKeyDDIVFQUMAVDBJJ-UHFFFAOYSA-N
MW449.57 g/mol
LogP4.41
Rot. Bonds6

About 1-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine

1-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine (PubChem CID 45171055) has the molecular formula C24H34F3N5 and a molecular weight of 449.57 g/mol. Its IUPAC name is 1-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine
PubChem CID45171055
Molecular FormulaC24H34F3N5
Molecular Weight449.57 g/mol
Exact Mass449.28
IUPAC Name1-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESCCCn1ncc(CN2CCCC(N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)c1C
InChIInChI=1S/C24H34F3N5/c1-3-9-32-19(2)20(16-28-32)17-29-10-5-8-23(18-29)31-13-11-30(12-14-31)22-7-4-6-21(15-22)24(25,26)27/h4,6-7,15-16,23H,3,5,8-14,17-18H2,1-2H3
InChIKeyDDIVFQUMAVDBJJ-UHFFFAOYSA-N
XLogP4.41
TPSA27.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.57
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3R)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 29255553
1-(1-ethylpiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 45217580
1-[1-(1-propylpiperidin-4-yl)piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 45213688
2-methoxy-6-[[(3R)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]methyl]phenol
CID 29025709
4-methoxy-2-[[(3R)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]methyl]phenol
CID 51636167
1-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 45248484
N,N-dimethyl-2-[(3S)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]acetamide
CID 95726698
methyl 2-[(3S)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]acetate
CID 95727046
N-methyl-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]acetamide
CID 56913982
methyl 2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]acetate;dihydrochloride
CID 154893068
1-(1-cyclohexylpiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 56718695
1-(1-methylpiperidin-4-yl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 784417

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine (CID 45171055) is 1-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine is CCCn1ncc(CN2CCCC(N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)c1C.
What is the InChIKey of 1-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The InChIKey is DDIVFQUMAVDBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34F3N5/c1-3-9-32-19(2)20(16-28-32)17-29-10-5-8-23(18-29)31-13-11-30(12-14-31)22-7-4-6-21(15-22)24(25,26)27/h4,6-7,15-16,23H,3,5,8-14,17-18H2,1-2H3.
What are the key properties of 1-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine?
1-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine has a molecular weight of 449.57 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 45171055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).