N-[3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-4-(trifluoromethyl)phenyl]-N,1-dimethylpyrrolidin-3-amine

C24H30ClF3N4 — CID 150773362

IUPACN-[3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-4-(trifluoromethyl)phenyl]-N,1-dimethylpyrrolidin-3-amine
SMILESCN1CCC(N(C)c2ccc(C(F)(F)F)c(CN3CCN(c4ccc(Cl)cc4)CC3)c2)C1
InChIInChI=1S/C24H30ClF3N4/c1-29-10-9-22(17-29)30(2)21-7-8-23(24(26,27)28)18(15-21)16-31-11-13-32(14-12-31)20-5-3-19(25)4-6-20/h3-8,15,22H,9-14,16-17H2,1-2H3
InChIKeyKAIHMHUAVGLAES-UHFFFAOYSA-N
MW466.98 g/mol
LogP4.82
Rot. Bonds5

About N-[3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-4-(trifluoromethyl)phenyl]-N,1-dimethylpyrrolidin-3-amine

N-[3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-4-(trifluoromethyl)phenyl]-N,1-dimethylpyrrolidin-3-amine (PubChem CID 150773362) has the molecular formula C24H30ClF3N4 and a molecular weight of 466.98 g/mol. Its IUPAC name is N-[3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-4-(trifluoromethyl)phenyl]-N,1-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-4-(trifluoromethyl)phenyl]-N,1-dimethylpyrrolidin-3-amine
PubChem CID150773362
Molecular FormulaC24H30ClF3N4
Molecular Weight466.98 g/mol
Exact Mass466.21
IUPAC NameN-[3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-4-(trifluoromethyl)phenyl]-N,1-dimethylpyrrolidin-3-amine
SMILESCN1CCC(N(C)c2ccc(C(F)(F)F)c(CN3CCN(c4ccc(Cl)cc4)CC3)c2)C1
InChIInChI=1S/C24H30ClF3N4/c1-29-10-9-22(17-29)30(2)21-7-8-23(24(26,27)28)18(15-21)16-31-11-13-32(14-12-31)20-5-3-19(25)4-6-20/h3-8,15,22H,9-14,16-17H2,1-2H3
InChIKeyKAIHMHUAVGLAES-UHFFFAOYSA-N
XLogP4.82
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.98
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-N-methyl-N-[(1-methylpiperidin-2-yl)methyl]-4-(trifluoromethyl)aniline
CID 151700780
N'-[3-[[4-(4-chloro-3-methylphenyl)piperazin-1-yl]methyl]-4-(trifluoromethyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 150485918
1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperidine;ethane
CID 145319280
(3S)-N-(3,4-dichlorophenyl)-N,1-dimethylpyrrolidin-3-amine
CID 59726187
N'-[3-[[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-4-(trifluoromethyl)phenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 150180240
3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-N,N-dimethyl-1H-indol-6-amine
CID 69350602
1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]piperazine
CID 167531096
1-[bis(4-bromophenyl)methyl]-4-[[5-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]methyl]piperazine
CID 151317684
2,4-ditert-butyl-6-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenol
CID 2845524
1-[3-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-4-(trifluoromethyl)phenyl]-4-methyl-1,4-diazepane
CID 152660561
1-(4-chlorophenyl)-4-[(2-chlorophenyl)methyl]piperazine
CID 764693
4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenol
CID 117219397

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-4-(trifluoromethyl)phenyl]-N,1-dimethylpyrrolidin-3-amine?
The IUPAC name of N-[3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-4-(trifluoromethyl)phenyl]-N,1-dimethylpyrrolidin-3-amine (CID 150773362) is N-[3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-4-(trifluoromethyl)phenyl]-N,1-dimethylpyrrolidin-3-amine.
What is the SMILES notation for N-[3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-4-(trifluoromethyl)phenyl]-N,1-dimethylpyrrolidin-3-amine?
The canonical SMILES for N-[3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-4-(trifluoromethyl)phenyl]-N,1-dimethylpyrrolidin-3-amine is CN1CCC(N(C)c2ccc(C(F)(F)F)c(CN3CCN(c4ccc(Cl)cc4)CC3)c2)C1.
What is the InChIKey of N-[3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-4-(trifluoromethyl)phenyl]-N,1-dimethylpyrrolidin-3-amine?
The InChIKey is KAIHMHUAVGLAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClF3N4/c1-29-10-9-22(17-29)30(2)21-7-8-23(24(26,27)28)18(15-21)16-31-11-13-32(14-12-31)20-5-3-19(25)4-6-20/h3-8,15,22H,9-14,16-17H2,1-2H3.
What are the key properties of N-[3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-4-(trifluoromethyl)phenyl]-N,1-dimethylpyrrolidin-3-amine?
N-[3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-4-(trifluoromethyl)phenyl]-N,1-dimethylpyrrolidin-3-amine has a molecular weight of 466.98 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-4-(trifluoromethyl)phenyl]-N,1-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 150773362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).