1-[(3S)-1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine

C24H37F3N4 — CID 29150756

IUPAC1-[(3S)-1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESCC(C)N1CCC(N2CCC[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)CC1
InChIInChI=1S/C24H37F3N4/c1-19(2)28-11-8-21(9-12-28)31-10-4-7-23(18-31)30-15-13-29(14-16-30)22-6-3-5-20(17-22)24(25,26)27/h3,5-6,17,19,21,23H,4,7-16,18H2,1-2H3/t23-/m0/s1
InChIKeyWHNYRJMWXVIQHO-QHCPKHFHSA-N
MW438.58 g/mol
LogP4.16
Rot. Bonds4

About 1-[(3S)-1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine

1-[(3S)-1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine (PubChem CID 29150756) has the molecular formula C24H37F3N4 and a molecular weight of 438.58 g/mol. Its IUPAC name is 1-[(3S)-1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-[(3S)-1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine
PubChem CID29150756
Molecular FormulaC24H37F3N4
Molecular Weight438.58 g/mol
Exact Mass438.30
IUPAC Name1-[(3S)-1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESCC(C)N1CCC(N2CCC[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)CC1
InChIInChI=1S/C24H37F3N4/c1-19(2)28-11-8-21(9-12-28)31-10-4-7-23(18-31)30-15-13-29(14-16-30)22-6-3-5-20(17-22)24(25,26)27/h3,5-6,17,19,21,23H,4,7-16,18H2,1-2H3/t23-/m0/s1
InChIKeyWHNYRJMWXVIQHO-QHCPKHFHSA-N
XLogP4.16
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.58
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(3S)-1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine with MolForge

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Related Compounds

1-(1-cyclohexylpiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 56718695
1-[1-(1-propylpiperidin-4-yl)piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 45213688
1-(1-methylpiperidin-4-yl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 784417
1-(1-ethylpiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 45217580
methyl 2-[(3S)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]acetate
CID 95727046
1-methyl-4-[1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]piperazine
CID 154771446
cyclopropyl-[(3R)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]methanone
CID 42516872
2-(methylamino)-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethanone;dihydrochloride
CID 154892703
methyl 2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]acetate;dihydrochloride
CID 154893068
3-methyl-2-[3-(trifluoromethyl)phenyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79931085
2-hydroxy-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethanone
CID 56903793
N,N-dimethyl-2-[(3S)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]acetamide
CID 95726698

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-[(3S)-1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine (CID 29150756) is 1-[(3S)-1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-[(3S)-1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-[(3S)-1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine is CC(C)N1CCC(N2CCC[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)CC1.
What is the InChIKey of 1-[(3S)-1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The InChIKey is WHNYRJMWXVIQHO-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H37F3N4/c1-19(2)28-11-8-21(9-12-28)31-10-4-7-23(18-31)30-15-13-29(14-16-30)22-6-3-5-20(17-22)24(25,26)27/h3,5-6,17,19,21,23H,4,7-16,18H2,1-2H3/t23-/m0/s1.
What are the key properties of 1-[(3S)-1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine?
1-[(3S)-1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine has a molecular weight of 438.58 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 29150756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).