1-[[4-[4-[2-(2-fluoropropan-2-yl)-4-(piperazin-1-ylmethyl)phenoxy]phenoxy]-3-(trifluoromethyl)phenyl]methyl]piperazine

C32H38F4N4O2 — CID 143935232

IUPAC1-[[4-[4-[2-(2-fluoropropan-2-yl)-4-(piperazin-1-ylmethyl)phenoxy]phenoxy]-3-(trifluoromethyl)phenyl]methyl]piperazine
SMILESCC(C)(F)c1cc(CN2CCNCC2)ccc1Oc1ccc(Oc2ccc(CN3CCNCC3)cc2C(F)(F)F)cc1
InChIInChI=1S/C32H38F4N4O2/c1-31(2,33)27-19-23(21-39-15-11-37-12-16-39)3-9-29(27)41-25-5-7-26(8-6-25)42-30-10-4-24(20-28(30)32(34,35)36)22-40-17-13-38-14-18-40/h3-10,19-20,37-38H,11-18,21-22H2,1-2H3
InChIKeyAEUAJKUUDCWDGK-UHFFFAOYSA-N
MW586.67 g/mol
LogP6.30
Rot. Bonds9

About 1-[[4-[4-[2-(2-fluoropropan-2-yl)-4-(piperazin-1-ylmethyl)phenoxy]phenoxy]-3-(trifluoromethyl)phenyl]methyl]piperazine

1-[[4-[4-[2-(2-fluoropropan-2-yl)-4-(piperazin-1-ylmethyl)phenoxy]phenoxy]-3-(trifluoromethyl)phenyl]methyl]piperazine (PubChem CID 143935232) has the molecular formula C32H38F4N4O2 and a molecular weight of 586.67 g/mol. Its IUPAC name is 1-[[4-[4-[2-(2-fluoropropan-2-yl)-4-(piperazin-1-ylmethyl)phenoxy]phenoxy]-3-(trifluoromethyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[[4-[4-[2-(2-fluoropropan-2-yl)-4-(piperazin-1-ylmethyl)phenoxy]phenoxy]-3-(trifluoromethyl)phenyl]methyl]piperazine
PubChem CID143935232
Molecular FormulaC32H38F4N4O2
Molecular Weight586.67 g/mol
Exact Mass586.29
IUPAC Name1-[[4-[4-[2-(2-fluoropropan-2-yl)-4-(piperazin-1-ylmethyl)phenoxy]phenoxy]-3-(trifluoromethyl)phenyl]methyl]piperazine
SMILESCC(C)(F)c1cc(CN2CCNCC2)ccc1Oc1ccc(Oc2ccc(CN3CCNCC3)cc2C(F)(F)F)cc1
InChIInChI=1S/C32H38F4N4O2/c1-31(2,33)27-19-23(21-39-15-11-37-12-16-39)3-9-29(27)41-25-5-7-26(8-6-25)42-30-10-4-24(20-28(30)32(34,35)36)22-40-17-13-38-14-18-40/h3-10,19-20,37-38H,11-18,21-22H2,1-2H3
InChIKeyAEUAJKUUDCWDGK-UHFFFAOYSA-N
XLogP6.30
TPSA49.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.67
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[[4-[4-[2-(2-fluoropropan-2-yl)-4-(piperazin-1-ylmethyl)phenoxy]phenoxy]-3-(trifluoromethyl)phenyl]methyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[4-[4-[2-(1-fluoroethyl)-4-(piperazin-1-ylmethyl)phenoxy]phenoxy]-3-(trifluoromethyl)phenyl]methyl]piperazine
CID 123186700
tert-butyl formate;1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]piperazine
CID 174629991
1-[(3-tert-butyl-4-propan-2-yloxyphenyl)methyl]piperazine
CID 82263845
1-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 138985666
1-[[4,5-dimethoxy-2-(trifluoromethyl)phenyl]methyl]piperazine
CID 117489558
1-[[5-(1,1-difluoroethyl)-2-methoxyphenyl]methyl]piperazine
CID 117429097
5-(piperazin-1-ylmethyl)-2-(trifluoromethyl)benzohydrazide
CID 151099376
1-[[3-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 13458726
1-[[4-(trifluoromethoxy)phenyl]methyl]-1,4-diazepane;hydrochloride
CID 119906729
1-[(4-methoxy-3-propoxyphenyl)methyl]piperazine
CID 39364163
1-[[4-(2,2-dimethylpropyl)phenyl]methyl]piperazine
CID 117368978
1-[(3,4-dicyclopropyloxyphenyl)methyl]piperazine
CID 166799801

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[4-[2-(2-fluoropropan-2-yl)-4-(piperazin-1-ylmethyl)phenoxy]phenoxy]-3-(trifluoromethyl)phenyl]methyl]piperazine?
The IUPAC name of 1-[[4-[4-[2-(2-fluoropropan-2-yl)-4-(piperazin-1-ylmethyl)phenoxy]phenoxy]-3-(trifluoromethyl)phenyl]methyl]piperazine (CID 143935232) is 1-[[4-[4-[2-(2-fluoropropan-2-yl)-4-(piperazin-1-ylmethyl)phenoxy]phenoxy]-3-(trifluoromethyl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[[4-[4-[2-(2-fluoropropan-2-yl)-4-(piperazin-1-ylmethyl)phenoxy]phenoxy]-3-(trifluoromethyl)phenyl]methyl]piperazine?
The canonical SMILES for 1-[[4-[4-[2-(2-fluoropropan-2-yl)-4-(piperazin-1-ylmethyl)phenoxy]phenoxy]-3-(trifluoromethyl)phenyl]methyl]piperazine is CC(C)(F)c1cc(CN2CCNCC2)ccc1Oc1ccc(Oc2ccc(CN3CCNCC3)cc2C(F)(F)F)cc1.
What is the InChIKey of 1-[[4-[4-[2-(2-fluoropropan-2-yl)-4-(piperazin-1-ylmethyl)phenoxy]phenoxy]-3-(trifluoromethyl)phenyl]methyl]piperazine?
The InChIKey is AEUAJKUUDCWDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38F4N4O2/c1-31(2,33)27-19-23(21-39-15-11-37-12-16-39)3-9-29(27)41-25-5-7-26(8-6-25)42-30-10-4-24(20-28(30)32(34,35)36)22-40-17-13-38-14-18-40/h3-10,19-20,37-38H,11-18,21-22H2,1-2H3.
What are the key properties of 1-[[4-[4-[2-(2-fluoropropan-2-yl)-4-(piperazin-1-ylmethyl)phenoxy]phenoxy]-3-(trifluoromethyl)phenyl]methyl]piperazine?
1-[[4-[4-[2-(2-fluoropropan-2-yl)-4-(piperazin-1-ylmethyl)phenoxy]phenoxy]-3-(trifluoromethyl)phenyl]methyl]piperazine has a molecular weight of 586.67 g/mol, XLogP of 6.30, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[4-[2-(2-fluoropropan-2-yl)-4-(piperazin-1-ylmethyl)phenoxy]phenoxy]-3-(trifluoromethyl)phenyl]methyl]piperazine is sourced from PubChem (CID 143935232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).