3-[4-[[4-[4-(difluoromethoxy)phenyl]phenyl]methyl]piperazin-1-yl]-N,N-dimethylpropan-1-amine

C23H31F2N3O — CID 165425748

IUPAC3-[4-[[4-[4-(difluoromethoxy)phenyl]phenyl]methyl]piperazin-1-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCN1CCN(Cc2ccc(-c3ccc(OC(F)F)cc3)cc2)CC1
InChIInChI=1S/C23H31F2N3O/c1-26(2)12-3-13-27-14-16-28(17-15-27)18-19-4-6-20(7-5-19)21-8-10-22(11-9-21)29-23(24)25/h4-11,23H,3,12-18H2,1-2H3
InChIKeyODJCLDPPXCGVRR-UHFFFAOYSA-N
MW403.52 g/mol
LogP4.02
Rot. Bonds9

About 3-[4-[[4-[4-(difluoromethoxy)phenyl]phenyl]methyl]piperazin-1-yl]-N,N-dimethylpropan-1-amine

3-[4-[[4-[4-(difluoromethoxy)phenyl]phenyl]methyl]piperazin-1-yl]-N,N-dimethylpropan-1-amine (PubChem CID 165425748) has the molecular formula C23H31F2N3O and a molecular weight of 403.52 g/mol. Its IUPAC name is 3-[4-[[4-[4-(difluoromethoxy)phenyl]phenyl]methyl]piperazin-1-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[4-[[4-[4-(difluoromethoxy)phenyl]phenyl]methyl]piperazin-1-yl]-N,N-dimethylpropan-1-amine
PubChem CID165425748
Molecular FormulaC23H31F2N3O
Molecular Weight403.52 g/mol
Exact Mass403.24
IUPAC Name3-[4-[[4-[4-(difluoromethoxy)phenyl]phenyl]methyl]piperazin-1-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCN1CCN(Cc2ccc(-c3ccc(OC(F)F)cc3)cc2)CC1
InChIInChI=1S/C23H31F2N3O/c1-26(2)12-3-13-27-14-16-28(17-15-27)18-19-4-6-20(7-5-19)21-8-10-22(11-9-21)29-23(24)25/h4-11,23H,3,12-18H2,1-2H3
InChIKeyODJCLDPPXCGVRR-UHFFFAOYSA-N
XLogP4.02
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aziridin-1-yl)-N,N-dimethylpropan-1-amine
CID 154296752
3-[4-[(4-butan-2-yloxyphenyl)methyl]piperazin-1-yl]propan-1-amine
CID 54856069
2-[4-[(4-iodophenyl)methyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 65490706
3-[4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-N,N-dimethylpropan-1-amine
CID 21109896
1-[[4-(difluoromethoxy)phenyl]methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 171701581
1-[[4-(difluoromethoxy)phenyl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120774453
1-[2-(3-butoxypropoxy)ethyl]-4-[(4-methylphenyl)methyl]piperazine
CID 155739725
N,N-dimethyl-3-phenoxy-3-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]propan-1-amine
CID 24945959
1,4-bis[(3,5-difluorophenyl)methyl]-7,10-bis[[4-[4-[[4,7,10-tris[(4-methoxyphenyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]methyl]phenyl]phenyl]methyl]-1,4,7,10-tetrazacyclododecane
CID 177488325
1-[2-[4-(difluoromethoxy)phenyl]ethyl]piperazine
CID 117394054
1-[[4-(difluoromethoxy)phenyl]methyl]-3-(2-methoxyphenoxy)azetidine
CID 56886222
3-[4-(difluoromethoxy)phenyl]-1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propan-1-one
CID 78848378

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[4-[4-(difluoromethoxy)phenyl]phenyl]methyl]piperazin-1-yl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[4-[[4-[4-(difluoromethoxy)phenyl]phenyl]methyl]piperazin-1-yl]-N,N-dimethylpropan-1-amine (CID 165425748) is 3-[4-[[4-[4-(difluoromethoxy)phenyl]phenyl]methyl]piperazin-1-yl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[4-[[4-[4-(difluoromethoxy)phenyl]phenyl]methyl]piperazin-1-yl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[4-[[4-[4-(difluoromethoxy)phenyl]phenyl]methyl]piperazin-1-yl]-N,N-dimethylpropan-1-amine is CN(C)CCCN1CCN(Cc2ccc(-c3ccc(OC(F)F)cc3)cc2)CC1.
What is the InChIKey of 3-[4-[[4-[4-(difluoromethoxy)phenyl]phenyl]methyl]piperazin-1-yl]-N,N-dimethylpropan-1-amine?
The InChIKey is ODJCLDPPXCGVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31F2N3O/c1-26(2)12-3-13-27-14-16-28(17-15-27)18-19-4-6-20(7-5-19)21-8-10-22(11-9-21)29-23(24)25/h4-11,23H,3,12-18H2,1-2H3.
What are the key properties of 3-[4-[[4-[4-(difluoromethoxy)phenyl]phenyl]methyl]piperazin-1-yl]-N,N-dimethylpropan-1-amine?
3-[4-[[4-[4-(difluoromethoxy)phenyl]phenyl]methyl]piperazin-1-yl]-N,N-dimethylpropan-1-amine has a molecular weight of 403.52 g/mol, XLogP of 4.02, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[4-[4-(difluoromethoxy)phenyl]phenyl]methyl]piperazin-1-yl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 165425748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).