1-[1-(1-propylpiperidin-4-yl)piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine

C24H37F3N4 — CID 45213688

IUPAC1-[1-(1-propylpiperidin-4-yl)piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESCCCN1CCC(N2CCCC(N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)CC1
InChIInChI=1S/C24H37F3N4/c1-2-10-28-12-8-21(9-13-28)31-11-4-7-23(19-31)30-16-14-29(15-17-30)22-6-3-5-20(18-22)24(25,26)27/h3,5-6,18,21,23H,2,4,7-17,19H2,1H3
InChIKeyFAMIDDLPGCYQGT-UHFFFAOYSA-N
MW438.58 g/mol
LogP4.17
Rot. Bonds5

About 1-[1-(1-propylpiperidin-4-yl)piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine

1-[1-(1-propylpiperidin-4-yl)piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine (PubChem CID 45213688) has the molecular formula C24H37F3N4 and a molecular weight of 438.58 g/mol. Its IUPAC name is 1-[1-(1-propylpiperidin-4-yl)piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-[1-(1-propylpiperidin-4-yl)piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine
PubChem CID45213688
Molecular FormulaC24H37F3N4
Molecular Weight438.58 g/mol
Exact Mass438.30
IUPAC Name1-[1-(1-propylpiperidin-4-yl)piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESCCCN1CCC(N2CCCC(N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)CC1
InChIInChI=1S/C24H37F3N4/c1-2-10-28-12-8-21(9-13-28)31-11-4-7-23(19-31)30-16-14-29(15-17-30)22-6-3-5-20(18-22)24(25,26)27/h3,5-6,18,21,23H,2,4,7-17,19H2,1H3
InChIKeyFAMIDDLPGCYQGT-UHFFFAOYSA-N
XLogP4.17
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.58
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-cyclohexylpiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 56718695
1-[(3S)-1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 29150756
1-(1-ethylpiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 45217580
1-(1-methylpiperidin-4-yl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 784417
1-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 45171055
methyl 2-[(3S)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]acetate
CID 95727046
methyl 2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]acetate;dihydrochloride
CID 154893068
N,N-dimethyl-2-[(3S)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]acetamide
CID 95726698
1-methyl-4-[1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]piperazine
CID 154771446
N-methyl-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]acetamide
CID 56913982
2-hydroxy-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethanone
CID 56903793
1-[(3R)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 29255553

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-propylpiperidin-4-yl)piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-[1-(1-propylpiperidin-4-yl)piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine (CID 45213688) is 1-[1-(1-propylpiperidin-4-yl)piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-[1-(1-propylpiperidin-4-yl)piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-[1-(1-propylpiperidin-4-yl)piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine is CCCN1CCC(N2CCCC(N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)CC1.
What is the InChIKey of 1-[1-(1-propylpiperidin-4-yl)piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The InChIKey is FAMIDDLPGCYQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37F3N4/c1-2-10-28-12-8-21(9-13-28)31-11-4-7-23(19-31)30-16-14-29(15-17-30)22-6-3-5-20(18-22)24(25,26)27/h3,5-6,18,21,23H,2,4,7-17,19H2,1H3.
What are the key properties of 1-[1-(1-propylpiperidin-4-yl)piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine?
1-[1-(1-propylpiperidin-4-yl)piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine has a molecular weight of 438.58 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-propylpiperidin-4-yl)piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 45213688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).